DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Analytic Dashboard

IEI-SEI

LIGAND IEI SEI PREDICTION
(IEIz : SEIz)
ligand_1 0.31
0.95
Weak-promiscuous
-1.13 : 1.89
ligand_2 0.22
0.57
Weak-moderate
-1.62 : 0.57
ligand_3 0.57
0.78
Moderate-promiscuous
0.28 : 1.3
ligand_4 0.45
0.37
Moderate-moderate
-0.37 : -0.13
ligand_5 0.10
0.75
Weak-promiscuous
-2.27 : 1.2
ligand_6 0.34
0.26
Moderate-moderate
-0.97 : -0.52
ligand_7 0.32
0.98
Weak-promiscuous
-1.07 : 2
ligand_8 0.47
1.00
Moderate-promiscuous
-0.26 : 2.07
ligand_9 0.52
0.42
Moderate-moderate
0.01 : 0.04
ligand_10 0.51
0.29
Moderate-moderate
-0.04 : -0.41
ligand_11 0.49
0.34
Moderate-moderate
-0.15 : -0.24
ligand_12 0.49
0.19
Moderate-moderate
-0.15 : -0.76
ligand_13 0.29
0.69
Weak-moderate
-1.24 : 0.99
ligand_14 0.49
0.32
Moderate-moderate
-0.15 : -0.31
ligand_15 0.56
0.54
Moderate-moderate
0.23 : 0.46
ligand_16 0.33
0.96
Weak-promiscuous
-1.02 : 1.93
ligand_17 0.00
0.96
Weak-promiscuous
-2.81 : 1.93
ligand_18 0.35
0.97
Moderate-promiscuous
-0.91 : 1.96
ligand_19 0.37
0.16
Moderate-moderate
-0.8 : -0.87
ligand_20 0.66
0.77
Moderate-promiscuous
0.77 : 1.27
ligand_21 0.73
0.82
Strong-promiscuous
1.15 : 1.44
ligand_22 0.35
0.53
Moderate-moderate
-0.91 : 0.43
ligand_23 0.70
0.31
Moderate-moderate
0.98 : -0.34
ligand_24 0.48
0.29
Moderate-moderate
-0.21 : -0.41
ligand_25 0.50
0.57
Moderate-moderate
-0.1 : 0.57
ligand_26 0.34
0.99
Moderate-promiscuous
-0.97 : 2.03
ligand_27 0.10
0.27
Weak-moderate
-2.27 : -0.48
ligand_28 0.61
0.10
Moderate-selective
0.5 : -1.08
ligand_29 0.43
0.27
Moderate-moderate
-0.48 : -0.48
ligand_30 0.39
0.56
Moderate-moderate
-0.7 : 0.53
ligand_31 0.25
0.93
Weak-promiscuous
-1.45 : 1.82
ligand_32 0.45
0.36
Moderate-moderate
-0.37 : -0.17
ligand_33 0.45
0.25
Moderate-moderate
-0.37 : -0.55
ligand_34 0.35
0.66
Moderate-moderate
-0.91 : 0.88
ligand_35 0.36
0.56
Moderate-moderate
-0.86 : 0.53
ligand_36 0.41
0.74
Moderate-promiscuous
-0.59 : 1.16
ligand_37 0.35
0.30
Moderate-moderate
-0.91 : -0.38
ligand_38 0.35
0.76
Moderate-promiscuous
-0.91 : 1.23
ligand_39 0.36
0.63
Moderate-moderate
-0.86 : 0.78
ligand_40 0.33
0.53
Weak-moderate
-1.02 : 0.43
ligand_41 0.33
0.43
Weak-moderate
-1.02 : 0.08
ligand_42 0.37
0.59
Moderate-moderate
-0.8 : 0.64
ligand_43 0.35
0.48
Moderate-moderate
-0.91 : 0.25
ligand_44 0.44
0.61
Moderate-moderate
-0.42 : 0.71
ligand_45 0.43
0.26
Moderate-moderate
-0.48 : -0.52
ligand_46 0.52
0.41
Moderate-moderate
0.01 : 0.01
ligand_47 0.49
0.50
Moderate-moderate
-0.15 : 0.32
ligand_48 0.53
0.50
Moderate-moderate
0.06 : 0.32
ligand_49 0.41
0.40
Moderate-moderate
-0.59 : -0.03
ligand_50 0.46
0.24
Moderate-moderate
-0.32 : -0.59
ligand_51 0.47
0.40
Moderate-moderate
-0.26 : -0.03
ligand_52 0.41
0.27
Moderate-moderate
-0.59 : -0.48
ligand_53 0.45
0.73
Moderate-promiscuous
-0.37 : 1.13
ligand_54 0.67
0.79
Moderate-promiscuous
0.82 : 1.34
ligand_55 0.59
0.57
Moderate-moderate
0.39 : 0.57
ligand_56 0.65
0.19
Moderate-moderate
0.71 : -0.76
ligand_57 0.47
0.54
Moderate-moderate
-0.26 : 0.46
ligand_58 0.44
0.49
Moderate-moderate
-0.42 : 0.29
ligand_59 0.42
0.36
Moderate-moderate
-0.53 : -0.17
ligand_60 0.59
0.18
Moderate-moderate
0.39 : -0.8
ligand_61 0.69
0.56
Moderate-moderate
0.93 : 0.53
ligand_62 0.87
0.89
Strong-promiscuous
1.91 : 1.68
ligand_63 0.86
0.06
Strong-selective
1.85 : -1.22
ligand_64 0.68
0.62
Moderate-moderate
0.88 : 0.74
ligand_65 0.69
0.06
Moderate-selective
0.93 : -1.22
ligand_66 0.77
0.57
Strong-moderate
1.36 : 0.57
ligand_67 0.73
0.14
Strong-moderate
1.15 : -0.94
ligand_68 0.73
0.10
Strong-selective
1.15 : -1.08
ligand_69 0.74
0.04
Strong-selective
1.2 : -1.29
ligand_70 0.79
0.26
Strong-moderate
1.47 : -0.52
ligand_71 0.78
0.02
Strong-selective
1.42 : -1.36
ligand_72 0.58
0.25
Moderate-moderate
0.33 : -0.55
ligand_73 0.04
0.98
Weak-promiscuous
-2.59 : 2
ligand_74 0.51
0.50
Moderate-moderate
-0.04 : 0.32
ligand_75 0.45
0.53
Moderate-moderate
-0.37 : 0.43
ligand_76 0.49
0.40
Moderate-moderate
-0.15 : -0.03
ligand_77 0.49
0.80
Moderate-promiscuous
-0.15 : 1.37
ligand_78 0.55
0.51
Moderate-moderate
0.17 : 0.36
ligand_79 0.40
0.73
Moderate-promiscuous
-0.64 : 1.13
ligand_80 0.39
0.76
Moderate-promiscuous
-0.7 : 1.23
ligand_81 0.53
0.48
Moderate-moderate
0.06 : 0.25
ligand_82 0.42
0.30
Moderate-moderate
-0.53 : -0.38
ligand_83 0.43
0.61
Moderate-moderate
-0.48 : 0.71
ligand_84 0.48
0.67
Moderate-moderate
-0.21 : 0.92
ligand_85 0.54
0.43
Moderate-moderate
0.12 : 0.08
ligand_86 0.59
0.80
Moderate-promiscuous
0.39 : 1.37
ligand_87 0.41
0.80
Moderate-promiscuous
-0.59 : 1.37
ligand_88 0.41
0.57
Moderate-moderate
-0.59 : 0.57
ligand_89 0.42
0.97
Moderate-promiscuous
-0.53 : 1.96
ligand_90 0.50
0.55
Moderate-moderate
-0.1 : 0.5
ligand_91 0.65
0.74
Moderate-promiscuous
0.71 : 1.16
ligand_92 0.50
0.84
Moderate-promiscuous
-0.1 : 1.51
ligand_93 0.64
0.71
Moderate-promiscuous
0.66 : 1.06
ligand_94 0.62
0.61
Moderate-moderate
0.55 : 0.71
ligand_95 0.43
0.44
Moderate-moderate
-0.48 : 0.11
ligand_96 0.42
0.27
Moderate-moderate
-0.53 : -0.48
ligand_97 0.24
0.74
Weak-promiscuous
-1.51 : 1.16
ligand_98 0.16
0.98
Weak-promiscuous
-1.94 : 2
ligand_99 0.13
0.96
Weak-promiscuous
-2.1 : 1.93
ligand_100 0.16
0.98
Weak-promiscuous
-1.94 : 2
ligand_101 0.39
0.16
Moderate-moderate
-0.7 : -0.87
ligand_102 0.43
0.31
Moderate-moderate
-0.48 : -0.34
ligand_103 0.03
0.89
Weak-promiscuous
-2.65 : 1.68
ligand_104 0.00
0.98
Weak-promiscuous
-2.81 : 2
ligand_105 0.24
0.37
Weak-moderate
-1.51 : -0.13
ligand_106 0.03
1.00
Weak-promiscuous
-2.65 : 2.07
ligand_107 0.03
1.00
Weak-promiscuous
-2.65 : 2.07
ligand_108 0.02
0.94
Weak-promiscuous
-2.7 : 1.86
ligand_109 0.02
1.00
Weak-promiscuous
-2.7 : 2.07
ligand_110 0.09
0.95
Weak-promiscuous
-2.32 : 1.89
ligand_111 0.36
0.47
Moderate-moderate
-0.86 : 0.22
ligand_112 0.07
0.81
Weak-promiscuous
-2.43 : 1.41
ligand_113 0.07
0.99
Weak-promiscuous
-2.43 : 2.03
ligand_114 0.10
0.94
Weak-promiscuous
-2.27 : 1.86
ligand_115 0.00
0.99
Weak-promiscuous
-2.81 : 2.03
ligand_116 0.04
0.99
Weak-promiscuous
-2.59 : 2.03
ligand_117 0.00
0.97
Weak-promiscuous
-2.81 : 1.96
ligand_118 0.00
0.99
Weak-promiscuous
-2.81 : 2.03
ligand_119 0.30
0.99
Weak-promiscuous
-1.18 : 2.03
ligand_120 0.23
0.71
Weak-promiscuous
-1.56 : 1.06
ligand_121 0.24
0.71
Weak-promiscuous
-1.51 : 1.06
ligand_122 0.22
0.80
Weak-promiscuous
-1.62 : 1.37
ligand_123 0.25
0.61
Weak-moderate
-1.45 : 0.71
ligand_124 0.21
0.82
Weak-promiscuous
-1.67 : 1.44
ligand_125 0.28
0.92
Weak-promiscuous
-1.29 : 1.79
ligand_126 0.28
0.73
Weak-promiscuous
-1.29 : 1.13
ligand_127 0.27
0.76
Weak-promiscuous
-1.35 : 1.23
ligand_128 0.43
0.28
Moderate-moderate
-0.48 : -0.45
ligand_129 0.26
0.56
Weak-moderate
-1.4 : 0.53
ligand_130 0.37
0.57
Moderate-moderate
-0.8 : 0.57
ligand_131 0.47
0.17
Moderate-moderate
-0.26 : -0.83
ligand_132 0.39
0.50
Moderate-moderate
-0.7 : 0.32
ligand_133 0.60
0.50
Moderate-moderate
0.44 : 0.32
ligand_134 0.50
0.29
Moderate-moderate
-0.1 : -0.41
ligand_135 0.46
0.45
Moderate-moderate
-0.32 : 0.15
ligand_136 0.36
0.29
Moderate-moderate
-0.86 : -0.41
ligand_137 0.58
0.83
Moderate-promiscuous
0.33 : 1.47
ligand_138 0.41
0.58
Moderate-moderate
-0.59 : 0.6
ligand_139 0.48
0.51
Moderate-moderate
-0.21 : 0.36
ligand_140 0.51
0.27
Moderate-moderate
-0.04 : -0.48
ligand_141 0.25
0.52
Weak-moderate
-1.45 : 0.39
ligand_142 0.45
0.63
Moderate-moderate
-0.37 : 0.78
ligand_143 0.21
0.78
Weak-promiscuous
-1.67 : 1.3
ligand_144 0.27
0.87
Weak-promiscuous
-1.35 : 1.61
ligand_145 0.21
0.67
Weak-moderate
-1.67 : 0.92
ligand_146 0.41
0.98
Moderate-promiscuous
-0.59 : 2
ligand_147 0.53
0.91
Moderate-promiscuous
0.06 : 1.75
ligand_148 0.24
0.40
Weak-moderate
-1.51 : -0.03
ligand_149 0.62
0.47
Moderate-moderate
0.55 : 0.22
ligand_150 0.37
0.98
Moderate-promiscuous
-0.8 : 2
ligand_151 0.43
0.60
Moderate-moderate
-0.48 : 0.67
ligand_152 0.36
0.76
Moderate-promiscuous
-0.86 : 1.23
ligand_153 0.14
0.80
Weak-promiscuous
-2.05 : 1.37
ligand_154 0.50
0.69
Moderate-moderate
-0.1 : 0.99
ligand_155 0.42
0.81
Moderate-promiscuous
-0.53 : 1.41
ligand_156 0.13
1.00
Weak-promiscuous
-2.1 : 2.07
ligand_157 0.46
0.80
Moderate-promiscuous
-0.32 : 1.37
ligand_158 0.76
0.26
Strong-moderate
1.31 : -0.52
ligand_159 0.62
0.17
Moderate-moderate
0.55 : -0.83
ligand_160 0.56
0.28
Moderate-moderate
0.23 : -0.45
ligand_161 0.73
0.03
Strong-selective
1.15 : -1.32
ligand_162 0.56
0.36
Moderate-moderate
0.23 : -0.17
ligand_163 0.45
0.54
Moderate-moderate
-0.37 : 0.46
ligand_164 0.37
0.36
Moderate-moderate
-0.8 : -0.17
ligand_165 0.56
0.23
Moderate-moderate
0.23 : -0.62
ligand_166 0.56
0.64
Moderate-moderate
0.23 : 0.81
ligand_167 0.57
0.73
Moderate-promiscuous
0.28 : 1.13
ligand_168 0.59
0.30
Moderate-moderate
0.39 : -0.38
ligand_169 0.49
0.20
Moderate-moderate
-0.15 : -0.73
ligand_170 0.47
0.40
Moderate-moderate
-0.26 : -0.03
ligand_171 0.33
0.86
Weak-promiscuous
-1.02 : 1.58
ligand_172 0.36
0.17
Moderate-moderate
-0.86 : -0.83
ligand_173 0.37
0.13
Moderate-moderate
-0.8 : -0.97
ligand_174 0.43
0.34
Moderate-moderate
-0.48 : -0.24
ligand_175 0.49
0.50
Moderate-moderate
-0.15 : 0.32
ligand_176 0.23
0.16
Weak-moderate
-1.56 : -0.87
ligand_177 0.25
0.95
Weak-promiscuous
-1.45 : 1.89
ligand_178 0.30
0.95
Weak-promiscuous
-1.18 : 1.89
ligand_179 0.34
0.90
Moderate-promiscuous
-0.97 : 1.72
ligand_180 0.41
0.63
Moderate-moderate
-0.59 : 0.78
ligand_181 0.31
0.88
Weak-promiscuous
-1.13 : 1.65
ligand_182 0.51
0.55
Moderate-moderate
-0.04 : 0.5
ligand_183 0.80
0.20
Strong-moderate
1.53 : -0.73
ligand_184 0.48
0.57
Moderate-moderate
-0.21 : 0.57
ligand_185 0.31
0.57
Weak-moderate
-1.13 : 0.57
ligand_186 0.25
0.50
Weak-moderate
-1.45 : 0.32
ligand_187 0.55
0.56
Moderate-moderate
0.17 : 0.53
ligand_188 0.52
0.25
Moderate-moderate
0.01 : -0.55
ligand_189 0.48
0.52
Moderate-moderate
-0.21 : 0.39
ligand_190 0.80
0.09
Strong-selective
1.53 : -1.11
ligand_191 0.59
0.46
Moderate-moderate
0.39 : 0.18
ligand_192 0.42
0.41
Moderate-moderate
-0.53 : 0.01
ligand_193 0.24
0.91
Weak-promiscuous
-1.51 : 1.75
ligand_194 0.06
0.81
Weak-promiscuous
-2.48 : 1.41
ligand_195 0.26
0.50
Weak-moderate
-1.4 : 0.32
ligand_196 0.36
0.72
Moderate-promiscuous
-0.86 : 1.09
ligand_197 0.21
0.71
Weak-promiscuous
-1.67 : 1.06
ligand_198 0.27
0.79
Weak-promiscuous
-1.35 : 1.34
ligand_199 0.44
0.55
Moderate-moderate
-0.42 : 0.5
ligand_200 0.39
0.28
Moderate-moderate
-0.7 : -0.45
ligand_201 0.46
0.61
Moderate-moderate
-0.32 : 0.71
ligand_202 0.83
0.56
Strong-moderate
1.69 : 0.53
ligand_203 0.54
0.96
Moderate-promiscuous
0.12 : 1.93
ligand_204 0.66
1.00
Moderate-promiscuous
0.77 : 2.07
ligand_205 0.45
0.03
Moderate-selective
-0.37 : -1.32
ligand_206 0.53
0.36
Moderate-moderate
0.06 : -0.17
ligand_207 0.33
0.54
Weak-moderate
-1.02 : 0.46
ligand_208 0.59
0.31
Moderate-moderate
0.39 : -0.34
ligand_209 0.50
0.91
Moderate-promiscuous
-0.1 : 1.75
ligand_210 0.55
0.30
Moderate-moderate
0.17 : -0.38
ligand_211 0.40
0.73
Moderate-promiscuous
-0.64 : 1.13
ligand_212 0.41
0.68
Moderate-moderate
-0.59 : 0.95
ligand_213 0.32
0.43
Weak-moderate
-1.07 : 0.08
ligand_214 0.36
0.54
Moderate-moderate
-0.86 : 0.46
ligand_215 0.31
0.25
Weak-moderate
-1.13 : -0.55
ligand_216 0.29
0.39
Weak-moderate
-1.24 : -0.06
ligand_217 0.71
0.05
Strong-selective
1.04 : -1.25
ligand_218 0.59
0.94
Moderate-promiscuous
0.39 : 1.86
ligand_219 0.34
0.43
Moderate-moderate
-0.97 : 0.08
ligand_220 0.42
0.21
Moderate-moderate
-0.53 : -0.69
ligand_221 0.35
0.48
Moderate-moderate
-0.91 : 0.25
ligand_222 0.39
0.46
Moderate-moderate
-0.7 : 0.18
ligand_223 0.37
0.54
Moderate-moderate
-0.8 : 0.46
ligand_224 0.41
0.80
Moderate-promiscuous
-0.59 : 1.37
ligand_225 0.57
0.07
Moderate-selective
0.28 : -1.18
ligand_226 0.38
0.61
Moderate-moderate
-0.75 : 0.71
ligand_227 0.53
0.54
Moderate-moderate
0.06 : 0.46
ligand_228 0.58
0.87
Moderate-promiscuous
0.33 : 1.61
ligand_229 0.74
0.68
Strong-moderate
1.2 : 0.95
ligand_230 0.28
0.61
Weak-moderate
-1.29 : 0.71
ligand_231 0.50
0.13
Moderate-moderate
-0.1 : -0.97
ligand_232 0.51
0.44
Moderate-moderate
-0.04 : 0.11
ligand_233 0.44
0.11
Moderate-selective
-0.42 : -1.04
ligand_234 0.63
0.53
Moderate-moderate
0.61 : 0.43
ligand_235 0.59
0.41
Moderate-moderate
0.39 : 0.01
ligand_236 0.72
0.84
Strong-promiscuous
1.09 : 1.51
ligand_237 0.42
0.45
Moderate-moderate
-0.53 : 0.15
ligand_238 0.14
0.72
Weak-promiscuous
-2.05 : 1.09
ligand_239 0.65
0.28
Moderate-moderate
0.71 : -0.45
ligand_240 0.33
0.66
Weak-moderate
-1.02 : 0.88
ligand_241 0.23
0.42
Weak-moderate
-1.56 : 0.04
ligand_242 0.45
0.86
Moderate-promiscuous
-0.37 : 1.58
ligand_243 0.38
0.51
Moderate-moderate
-0.75 : 0.36
ligand_244 0.52
0.22
Moderate-moderate
0.01 : -0.66
ligand_245 0.39
0.54
Moderate-moderate
-0.7 : 0.46
ligand_246 0.67
0.56
Moderate-moderate
0.82 : 0.53
ligand_247 0.67
0.71
Moderate-promiscuous
0.82 : 1.06
ligand_248 0.70
0.44
Moderate-moderate
0.98 : 0.11
ligand_249 0.84
0.26
Strong-moderate
1.74 : -0.52
ligand_250 0.80
0.17
Strong-moderate
1.53 : -0.83
ligand_251 0.76
0.26
Strong-moderate
1.31 : -0.52
ligand_252 0.78
0.33
Strong-moderate
1.42 : -0.27
ligand_253 0.74
0.11
Strong-selective
1.2 : -1.04
ligand_254 0.77
0.16
Strong-moderate
1.36 : -0.87
ligand_255 0.67
0.50
Moderate-moderate
0.82 : 0.32
ligand_256 0.78
0.21
Strong-moderate
1.42 : -0.69
ligand_257 0.74
0.59
Strong-moderate
1.2 : 0.64
ligand_258 0.82
0.29
Strong-moderate
1.64 : -0.41
ligand_259 0.58
0.11
Moderate-selective
0.33 : -1.04
ligand_260 0.28
0.68
Weak-moderate
-1.29 : 0.95
ligand_261 0.26
0.50
Weak-moderate
-1.4 : 0.32
ligand_262 0.32
0.42
Weak-moderate
-1.07 : 0.04
ligand_263 0.29
0.37
Weak-moderate
-1.24 : -0.13
ligand_264 0.31
0.50
Weak-moderate
-1.13 : 0.32
ligand_265 0.23
0.50
Weak-moderate
-1.56 : 0.32
ligand_266 0.25
0.54
Weak-moderate
-1.45 : 0.46
ligand_267 0.37
0.52
Moderate-moderate
-0.8 : 0.39
ligand_268 0.34
0.29
Moderate-moderate
-0.97 : -0.41
ligand_269 0.32
0.54
Weak-moderate
-1.07 : 0.46
ligand_270 0.35
0.34
Moderate-moderate
-0.91 : -0.24
ligand_271 0.37
0.49
Moderate-moderate
-0.8 : 0.29
ligand_272 0.40
0.53
Moderate-moderate
-0.64 : 0.43
ligand_273 0.36
0.68
Moderate-moderate
-0.86 : 0.95
ligand_274 0.34
0.72
Moderate-promiscuous
-0.97 : 1.09
ligand_275 0.24
0.34
Weak-moderate
-1.51 : -0.24
ligand_276 0.38
0.69
Moderate-moderate
-0.75 : 0.99
ligand_277 0.32
0.48
Weak-moderate
-1.07 : 0.25
ligand_278 0.43
0.57
Moderate-moderate
-0.48 : 0.57
ligand_279 0.44
0.58
Moderate-moderate
-0.42 : 0.6
ligand_280 0.41
0.15
Moderate-moderate
-0.59 : -0.9
ligand_281 0.46
0.39
Moderate-moderate
-0.32 : -0.06
ligand_282 0.44
0.55
Moderate-moderate
-0.42 : 0.5
ligand_283 0.41
0.33
Moderate-moderate
-0.59 : -0.27
ligand_284 0.46
0.23
Moderate-moderate
-0.32 : -0.62
ligand_285 0.34
0.42
Moderate-moderate
-0.97 : 0.04
ligand_286 0.44
0.28
Moderate-moderate
-0.42 : -0.45
ligand_287 0.43
0.41
Moderate-moderate
-0.48 : 0.01
ligand_288 0.42
0.58
Moderate-moderate
-0.53 : 0.6
ligand_289 0.46
0.44
Moderate-moderate
-0.32 : 0.11
ligand_290 0.38
0.52
Moderate-moderate
-0.75 : 0.39
ligand_291 0.42
0.72
Moderate-promiscuous
-0.53 : 1.09
ligand_292 0.45
0.24
Moderate-moderate
-0.37 : -0.59
ligand_293 0.45
0.49
Moderate-moderate
-0.37 : 0.29
ligand_294 0.42
0.40
Moderate-moderate
-0.53 : -0.03
ligand_295 0.50
0.31
Moderate-moderate
-0.1 : -0.34
ligand_296 0.43
0.47
Moderate-moderate
-0.48 : 0.22
ligand_297 0.54
0.66
Moderate-moderate
0.12 : 0.88
ligand_298 0.52
0.45
Moderate-moderate
0.01 : 0.15
ligand_299 0.46
0.34
Moderate-moderate
-0.32 : -0.24
ligand_300 0.39
0.93
Moderate-promiscuous
-0.7 : 1.82
ligand_301 0.40
0.57
Moderate-moderate
-0.64 : 0.57
ligand_302 0.48
0.57
Moderate-moderate
-0.21 : 0.57
ligand_303 0.44
0.37
Moderate-moderate
-0.42 : -0.13
ligand_304 0.45
0.62
Moderate-moderate
-0.37 : 0.74
ligand_305 0.40
0.29
Moderate-moderate
-0.64 : -0.41
ligand_306 0.68
0.10
Moderate-selective
0.88 : -1.08
ligand_307 0.74
0.05
Strong-selective
1.2 : -1.25
ligand_308 0.64
0.04
Moderate-selective
0.66 : -1.29
ligand_309 0.66
0.01
Moderate-selective
0.77 : -1.39
ligand_310 0.69
0.43
Moderate-moderate
0.93 : 0.08
ligand_311 0.65
0.25
Moderate-moderate
0.71 : -0.55
ligand_312 0.70
0.02
Moderate-selective
0.98 : -1.36
ligand_313 0.76
0.24
Strong-moderate
1.31 : -0.59
ligand_314 0.68
0.62
Moderate-moderate
0.88 : 0.74
ligand_315 0.68
0.00
Moderate-selective
0.88 : -1.43
ligand_316 0.56
0.03
Moderate-selective
0.23 : -1.32
ligand_317 0.59
0.57
Moderate-moderate
0.39 : 0.57
ligand_318 0.56
0.15
Moderate-moderate
0.23 : -0.9
ligand_319 0.66
0.08
Moderate-selective
0.77 : -1.15
ligand_320 0.83
0.04
Strong-selective
1.69 : -1.29
ligand_321 0.79
0.11
Strong-selective
1.47 : -1.04
ligand_322 0.55
0.11
Moderate-selective
0.17 : -1.04
ligand_323 0.55
0.03
Moderate-selective
0.17 : -1.32
ligand_324 0.68
0.65
Moderate-moderate
0.88 : 0.85
ligand_325 0.75
0.15
Strong-moderate
1.26 : -0.9
ligand_326 0.58
0.23
Moderate-moderate
0.33 : -0.62
ligand_327 0.45
0.13
Moderate-moderate
-0.37 : -0.97
ligand_328 0.67
0.23
Moderate-moderate
0.82 : -0.62
ligand_329 0.76
0.20
Strong-moderate
1.31 : -0.73
ligand_330 0.70
0.06
Moderate-selective
0.98 : -1.22
ligand_331 0.61
0.12
Moderate-selective
0.5 : -1.01
ligand_332 0.49
0.11
Moderate-selective
-0.15 : -1.04
ligand_333 0.67
0.51
Moderate-moderate
0.82 : 0.36
ligand_334 0.60
0.19
Moderate-moderate
0.44 : -0.76
ligand_335 0.75
0.03
Strong-selective
1.26 : -1.32
ligand_336 0.68
0.20
Moderate-moderate
0.88 : -0.73
ligand_337 0.50
0.20
Moderate-moderate
-0.1 : -0.73
ligand_338 0.72
0.04
Strong-selective
1.09 : -1.29
ligand_339 0.75
0.08
Strong-selective
1.26 : -1.15
ligand_340 0.56
0.05
Moderate-selective
0.23 : -1.25
ligand_341 0.47
0.52
Moderate-moderate
-0.26 : 0.39
ligand_342 0.66
0.19
Moderate-moderate
0.77 : -0.76
ligand_343 0.50
0.29
Moderate-moderate
-0.1 : -0.41
ligand_344 0.67
0.22
Moderate-moderate
0.82 : -0.66
ligand_345 0.67
0.32
Moderate-moderate
0.82 : -0.31
ligand_346 0.72
0.63
Strong-moderate
1.09 : 0.78
ligand_347 0.58
0.03
Moderate-selective
0.33 : -1.32
ligand_348 0.43
0.54
Moderate-moderate
-0.48 : 0.46
ligand_349 0.71
0.03
Strong-selective
1.04 : -1.32
ligand_350 0.71
0.19
Strong-moderate
1.04 : -0.76
ligand_351 0.62
0.03
Moderate-selective
0.55 : -1.32
ligand_352 0.75
0.38
Strong-moderate
1.26 : -0.1
ligand_353 0.69
0.31
Moderate-moderate
0.93 : -0.34
ligand_354 0.64
0.04
Moderate-selective
0.66 : -1.29
ligand_355 0.59
0.12
Moderate-selective
0.39 : -1.01
ligand_356 0.73
0.85
Strong-promiscuous
1.15 : 1.54
ligand_357 0.67
0.10
Moderate-selective
0.82 : -1.08
ligand_358 0.56
0.07
Moderate-selective
0.23 : -1.18
ligand_359 0.70
0.55
Moderate-moderate
0.98 : 0.5
ligand_360 0.64
0.01
Moderate-selective
0.66 : -1.39
ligand_361 0.51
0.30
Moderate-moderate
-0.04 : -0.38
ligand_362 0.80
0.04
Strong-selective
1.53 : -1.29
ligand_363 0.50
0.46
Moderate-moderate
-0.1 : 0.18
ligand_364 0.61
0.83
Moderate-promiscuous
0.5 : 1.47
ligand_365 0.50
0.34
Moderate-moderate
-0.1 : -0.24
ligand_366 0.55
0.37
Moderate-moderate
0.17 : -0.13
ligand_367 0.69
0.25
Moderate-moderate
0.93 : -0.55
ligand_368 0.68
0.01
Moderate-selective
0.88 : -1.39
ligand_369 0.64
0.08
Moderate-selective
0.66 : -1.15
ligand_370 0.77
0.05
Strong-selective
1.36 : -1.25
ligand_371 0.69
0.10
Moderate-selective
0.93 : -1.08
ligand_372 0.60
0.05
Moderate-selective
0.44 : -1.25
ligand_373 0.66
0.03
Moderate-selective
0.77 : -1.32
ligand_374 0.55
0.28
Moderate-moderate
0.17 : -0.45
ligand_375 0.77
0.01
Strong-selective
1.36 : -1.39
ligand_376 0.44
0.58
Moderate-moderate
-0.42 : 0.6
ligand_377 0.77
0.26
Strong-moderate
1.36 : -0.52
ligand_378 0.62
0.24
Moderate-moderate
0.55 : -0.59
ligand_379 0.78
0.02
Strong-selective
1.42 : -1.36
ligand_380 1.00
0.27
Strong-moderate
2.61 : -0.48
ligand_381 0.66
0.17
Moderate-moderate
0.77 : -0.83
ligand_382 0.69
0.17
Moderate-moderate
0.93 : -0.83
ligand_383 0.55
0.20
Moderate-moderate
0.17 : -0.73
ligand_384 0.63
0.77
Moderate-promiscuous
0.61 : 1.27
ligand_385 0.58
0.03
Moderate-selective
0.33 : -1.32
ligand_386 0.83
0.49
Strong-moderate
1.69 : 0.29
ligand_387 0.59
0.79
Moderate-promiscuous
0.39 : 1.34
ligand_388 0.48
0.16
Moderate-moderate
-0.21 : -0.87
ligand_389 0.78
0.55
Strong-moderate
1.42 : 0.5
ligand_390 0.74
0.01
Strong-selective
1.2 : -1.39
ligand_391 0.77
0.03
Strong-selective
1.36 : -1.32
ligand_392 0.55
0.73
Moderate-promiscuous
0.17 : 1.13
ligand_393 0.71
0.15
Strong-moderate
1.04 : -0.9
ligand_394 0.65
0.21
Moderate-moderate
0.71 : -0.69
ligand_395 0.69
0.05
Moderate-selective
0.93 : -1.25
ligand_396 0.73
0.81
Strong-promiscuous
1.15 : 1.41
ligand_397 0.68
0.21
Moderate-moderate
0.88 : -0.69
ligand_398 0.72
0.01
Strong-selective
1.09 : -1.39
ligand_399 0.76
0.02
Strong-selective
1.31 : -1.36
ligand_400 0.62
0.04
Moderate-selective
0.55 : -1.29
ligand_401 0.87
0.13
Strong-moderate
1.91 : -0.97
ligand_402 0.73
0.07
Strong-selective
1.15 : -1.18
ligand_403 0.35
0.35
Moderate-moderate
-0.91 : -0.2
ligand_404 0.53
0.55
Moderate-moderate
0.06 : 0.5
ligand_405 0.40
0.35
Moderate-moderate
-0.64 : -0.2
ligand_406 0.61
0.65
Moderate-moderate
0.5 : 0.85
ligand_407 0.70
0.35
Moderate-moderate
0.98 : -0.2
ligand_408 0.76
0.00
Strong-selective
1.31 : -1.43
ligand_409 0.62
0.06
Moderate-selective
0.55 : -1.22
ligand_410 0.94
0.32
Strong-moderate
2.29 : -0.31
ligand_411 0.65
0.27
Moderate-moderate
0.71 : -0.48
ligand_412 0.74
0.25
Strong-moderate
1.2 : -0.55
ligand_413 0.59
0.08
Moderate-selective
0.39 : -1.15
ligand_414 0.72
0.01
Strong-selective
1.09 : -1.39
ligand_415 0.58
0.17
Moderate-moderate
0.33 : -0.83
ligand_416 0.56
0.04
Moderate-selective
0.23 : -1.29
ligand_417 0.68
0.27
Moderate-moderate
0.88 : -0.48
ligand_418 0.69
0.07
Moderate-selective
0.93 : -1.18
ligand_419 0.79
0.05
Strong-selective
1.47 : -1.25
ligand_420 0.72
0.42
Strong-moderate
1.09 : 0.04
ligand_421 0.68
0.06
Moderate-selective
0.88 : -1.22
ligand_422 0.61
0.37
Moderate-moderate
0.5 : -0.13
ligand_423 0.80
0.05
Strong-selective
1.53 : -1.25
ligand_424 0.48
0.73
Moderate-promiscuous
-0.21 : 1.13
ligand_425 0.78
0.14
Strong-moderate
1.42 : -0.94
ligand_426 0.56
0.28
Moderate-moderate
0.23 : -0.45
ligand_427 0.82
0.10
Strong-selective
1.64 : -1.08
ligand_428 0.72
0.31
Strong-moderate
1.09 : -0.34
ligand_429 0.52
0.32
Moderate-moderate
0.01 : -0.31
ligand_430 0.81
0.11
Strong-selective
1.58 : -1.04
ligand_431 0.80
0.33
Strong-moderate
1.53 : -0.27
ligand_432 0.65
0.08
Moderate-selective
0.71 : -1.15
ligand_433 0.58
0.06
Moderate-selective
0.33 : -1.22
ligand_434 0.52
0.19
Moderate-moderate
0.01 : -0.76
ligand_435 0.64
0.04
Moderate-selective
0.66 : -1.29
ligand_436 0.59
0.34
Moderate-moderate
0.39 : -0.24
ligand_437 0.66
0.02
Moderate-selective
0.77 : -1.36
ligand_438 0.72
0.03
Strong-selective
1.09 : -1.32
ligand_439 0.67
0.10
Moderate-selective
0.82 : -1.08
ligand_440 0.59
0.16
Moderate-moderate
0.39 : -0.87
ligand_441 0.57
0.51
Moderate-moderate
0.28 : 0.36
ligand_442 0.66
0.04
Moderate-selective
0.77 : -1.29
ligand_443 0.46
0.32
Moderate-moderate
-0.32 : -0.31
ligand_444 0.76
0.08
Strong-selective
1.31 : -1.15
ligand_445 0.80
0.28
Strong-moderate
1.53 : -0.45
ligand_446 0.88
0.04
Strong-selective
1.96 : -1.29
ligand_447 0.63
0.03
Moderate-selective
0.61 : -1.32
ligand_448 0.46
0.27
Moderate-moderate
-0.32 : -0.48
ligand_449 0.47
0.24
Moderate-moderate
-0.26 : -0.59
ligand_450 0.57
0.28
Moderate-moderate
0.28 : -0.45
ligand_451 0.47
0.27
Moderate-moderate
-0.26 : -0.48
ligand_452 0.79
0.02
Strong-selective
1.47 : -1.36
ligand_453 0.56
0.27
Moderate-moderate
0.23 : -0.48
ligand_454 0.63
0.09
Moderate-selective
0.61 : -1.11
ligand_455 0.85
0.03
Strong-selective
1.8 : -1.32
ligand_456 0.45
0.31
Moderate-moderate
-0.37 : -0.34
ligand_457 0.50
0.45
Moderate-moderate
-0.1 : 0.15
ligand_458 0.65
0.05
Moderate-selective
0.71 : -1.25
ligand_459 0.59
0.06
Moderate-selective
0.39 : -1.22
ligand_460 0.69
0.05
Moderate-selective
0.93 : -1.25
ligand_461 0.61
0.08
Moderate-selective
0.5 : -1.15
ligand_462 0.82
0.07
Strong-selective
1.64 : -1.18
ligand_463 0.51
0.55
Moderate-moderate
-0.04 : 0.5
ligand_464 0.71
0.07
Strong-selective
1.04 : -1.18
ligand_465 0.62
0.10
Moderate-selective
0.55 : -1.08
ligand_466 0.44
0.32
Moderate-moderate
-0.42 : -0.31
ligand_467 0.39
0.12
Moderate-selective
-0.7 : -1.01
ligand_468 0.58
0.06
Moderate-selective
0.33 : -1.22
ligand_469 0.62
0.17
Moderate-moderate
0.55 : -0.83
ligand_470 0.75
0.07
Strong-selective
1.26 : -1.18
ligand_471 0.59
0.05
Moderate-selective
0.39 : -1.25
ligand_472 0.77
0.44
Strong-moderate
1.36 : 0.11
ligand_473 0.69
0.23
Moderate-moderate
0.93 : -0.62
ligand_474 0.64
0.53
Moderate-moderate
0.66 : 0.43
ligand_475 0.70
0.11
Moderate-selective
0.98 : -1.04
ligand_476 0.56
0.61
Moderate-moderate
0.23 : 0.71
ligand_477 0.43
0.11
Moderate-selective
-0.48 : -1.04
ligand_478 0.59
0.07
Moderate-selective
0.39 : -1.18
ligand_479 0.78
0.14
Strong-moderate
1.42 : -0.94
ligand_480 0.71
0.12
Strong-selective
1.04 : -1.01
ligand_481 0.64
0.62
Moderate-moderate
0.66 : 0.74
ligand_482 0.62
0.07
Moderate-selective
0.55 : -1.18
ligand_483 0.53
0.21
Moderate-moderate
0.06 : -0.69
ligand_484 0.77
0.49
Strong-moderate
1.36 : 0.29
ligand_485 0.60
0.52
Moderate-moderate
0.44 : 0.39
ligand_486 0.71
0.08
Strong-selective
1.04 : -1.15
ligand_487 0.68
0.04
Moderate-selective
0.88 : -1.29
ligand_488 0.70
0.06
Moderate-selective
0.98 : -1.22
ligand_489 0.33
0.49
Weak-moderate
-1.02 : 0.29
ligand_490 0.60
0.29
Moderate-moderate
0.44 : -0.41
ligand_491 0.71
0.09
Strong-selective
1.04 : -1.11
ligand_492 0.59
0.03
Moderate-selective
0.39 : -1.32
ligand_493 0.45
0.16
Moderate-moderate
-0.37 : -0.87
ligand_494 0.73
0.10
Strong-selective
1.15 : -1.08
ligand_495 0.64
0.08
Moderate-selective
0.66 : -1.15
ligand_496 0.74
0.03
Strong-selective
1.2 : -1.32
ligand_497 0.64
0.16
Moderate-moderate
0.66 : -0.87
ligand_498 0.65
0.87
Moderate-promiscuous
0.71 : 1.61
ligand_499 0.52
0.05
Moderate-selective
0.01 : -1.25
ligand_500 0.77
0.07
Strong-selective
1.36 : -1.18
ligand_501 0.61
0.02
Moderate-selective
0.5 : -1.36
ligand_502 0.54
0.08
Moderate-selective
0.12 : -1.15
ligand_503 0.66
0.33
Moderate-moderate
0.77 : -0.27
ligand_504 0.50
0.04
Moderate-selective
-0.1 : -1.29
ligand_505 0.50
0.09
Moderate-selective
-0.1 : -1.11
ligand_506 0.55
0.17
Moderate-moderate
0.17 : -0.83
ligand_507 0.46
0.26
Moderate-moderate
-0.32 : -0.52
ligand_508 0.63
0.29
Moderate-moderate
0.61 : -0.41
ligand_509 0.80
0.09
Strong-selective
1.53 : -1.11
ligand_510 0.52
0.09
Moderate-selective
0.01 : -1.11
ligand_511 0.69
0.05
Moderate-selective
0.93 : -1.25
ligand_512 0.46
0.31
Moderate-moderate
-0.32 : -0.34
ligand_513 0.67
0.65
Moderate-moderate
0.82 : 0.85
ligand_514 0.61
0.54
Moderate-moderate
0.5 : 0.46
ligand_515 0.77
0.61
Strong-moderate
1.36 : 0.71
ligand_516 0.79
0.01
Strong-selective
1.47 : -1.39
ligand_517 0.53
0.07
Moderate-selective
0.06 : -1.18
ligand_518 0.54
0.34
Moderate-moderate
0.12 : -0.24
ligand_519 0.57
0.24
Moderate-moderate
0.28 : -0.59
ligand_520 0.83
0.10
Strong-selective
1.69 : -1.08
ligand_521 0.60
0.14
Moderate-moderate
0.44 : -0.94
ligand_522 0.57
0.01
Moderate-selective
0.28 : -1.39
ligand_523 0.61
0.02
Moderate-selective
0.5 : -1.36
ligand_524 0.66
0.22
Moderate-moderate
0.77 : -0.66
ligand_525 0.59
0.10
Moderate-selective
0.39 : -1.08
ligand_526 0.73
0.44
Strong-moderate
1.15 : 0.11
ligand_527 0.62
0.42
Moderate-moderate
0.55 : 0.04
ligand_528 0.73
0.25
Strong-moderate
1.15 : -0.55
ligand_529 0.82
0.02
Strong-selective
1.64 : -1.36
ligand_530 0.87
0.01
Strong-selective
1.91 : -1.39
ligand_531 0.51
0.20
Moderate-moderate
-0.04 : -0.73
ligand_532 0.66
0.84
Moderate-promiscuous
0.77 : 1.51
ligand_533 0.71
0.06
Strong-selective
1.04 : -1.22
ligand_534 0.70
0.36
Moderate-moderate
0.98 : -0.17
ligand_535 0.66
0.03
Moderate-selective
0.77 : -1.32
ligand_536 0.70
0.02
Moderate-selective
0.98 : -1.36
ligand_537 0.73
0.01
Strong-selective
1.15 : -1.39
ligand_538 0.50
0.39
Moderate-moderate
-0.1 : -0.06
ligand_539 0.70
0.79
Moderate-promiscuous
0.98 : 1.34
ligand_540 0.72
0.59
Strong-moderate
1.09 : 0.64
ligand_541 0.60
0.55
Moderate-moderate
0.44 : 0.5
ligand_542 0.56
0.29
Moderate-moderate
0.23 : -0.41
ligand_543 0.38
0.35
Moderate-moderate
-0.75 : -0.2
ligand_544 0.34
0.60
Moderate-moderate
-0.97 : 0.67
ligand_545 0.54
0.36
Moderate-moderate
0.12 : -0.17
ligand_546 0.51
0.35
Moderate-moderate
-0.04 : -0.2
ligand_547 0.47
0.66
Moderate-moderate
-0.26 : 0.88
ligand_548 0.51
0.20
Moderate-moderate
-0.04 : -0.73
ligand_549 0.36
0.47
Moderate-moderate
-0.86 : 0.22
ligand_550 0.61
0.77
Moderate-promiscuous
0.5 : 1.27
ligand_551 0.39
0.53
Moderate-moderate
-0.7 : 0.43
ligand_552 0.43
0.23
Moderate-moderate
-0.48 : -0.62
ligand_553 0.63
1.00
Moderate-promiscuous
0.61 : 2.07
ligand_554 0.62
0.73
Moderate-promiscuous
0.55 : 1.13
ligand_555 0.27
0.60
Weak-moderate
-1.35 : 0.67
ligand_556 0.48
0.20
Moderate-moderate
-0.21 : -0.73
ligand_557 0.68
0.60
Moderate-moderate
0.88 : 0.67
ligand_558 0.33
0.22
Weak-moderate
-1.02 : -0.66
ligand_559 0.38
0.32
Moderate-moderate
-0.75 : -0.31
ligand_560 0.50
0.58
Moderate-moderate
-0.1 : 0.6
ligand_561 0.62
1.00
Moderate-promiscuous
0.55 : 2.07
ligand_562 0.46
0.83
Moderate-promiscuous
-0.32 : 1.47
ligand_563 0.33
0.58
Weak-moderate
-1.02 : 0.6
ligand_564 0.32
0.28
Weak-moderate
-1.07 : -0.45
ligand_565 0.59
0.06
Moderate-selective
0.39 : -1.22
ligand_566 0.34
0.92
Moderate-promiscuous
-0.97 : 1.79
ligand_567 0.40
0.43
Moderate-moderate
-0.64 : 0.08
ligand_568 0.48
0.40
Moderate-moderate
-0.21 : -0.03
ligand_569 0.46
0.14
Moderate-moderate
-0.32 : -0.94
ligand_570 0.22
0.95
Weak-promiscuous
-1.62 : 1.89
ligand_571 0.39
0.46
Moderate-moderate
-0.7 : 0.18
ligand_572 0.30
0.80
Weak-promiscuous
-1.18 : 1.37
ligand_573 0.32
0.44
Weak-moderate
-1.07 : 0.11
ligand_574 0.48
0.30
Moderate-moderate
-0.21 : -0.38
ligand_575 0.42
0.24
Moderate-moderate
-0.53 : -0.59
ligand_576 0.34
0.89
Moderate-promiscuous
-0.97 : 1.68
ligand_577 0.59
0.98
Moderate-promiscuous
0.39 : 2
ligand_578 0.40
0.36
Moderate-moderate
-0.64 : -0.17
ligand_579 0.39
0.46
Moderate-moderate
-0.7 : 0.18
ligand_580 0.40
0.26
Moderate-moderate
-0.64 : -0.52

Ligand Prediction Space

IEI \ SEI Low
Z ≤ -1
Moderate
-1 < Z < 1
High
Z ≥ 1
Low
Z ≤ -1
Weak-selective
0
Weak-moderate
38
Weak-promiscuous
48
Moderate
-1 < Z < 1
Moderate-selective
77
Moderate-moderate
264
Moderate-promiscuous
56
High
Z ≥ 1
Strong-selective
51
Strong-moderate
41
Strong-promiscuous
5

Relationship Analysis

r-value p-value significance level α
-0.5644 0.0000 Yes