Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
GPCR_HUMAN_201601 (GPCR_HUMAN - Jan 2016)

Download : Data.csv | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




 Query Sequence
Filter: 		Significants
SA found		 Seq Ident. 3D Core
(QMean Score)		 Classification code

 Binding Site Ligands Found
(Procognate)		 Profile Complexes by comparative docking
(ligands from PDB templates)

 Targets
for screening


Sort by entries

 [Nb of SA]
 [Best Ident]
 [Best Score]
 Main Code
 [Name]
 [Number]
 [Number]
 Distribution of CDocking pKd
 [Number]
1ADRB3_HUMAN32 80% 0.322 PF00001 C3_S1285 - (0)10 - / - / 21 0
2TAAR9_HUMAN20 38% 0.265 PF00001 264 - (0)? - / - / - 0
35HT4R_HUMAN24 40% 0.325 PF00001 C4_S1263 - (0)4 - / - / 4 0
4AA2BR_HUMAN33 63% 0.403 PF00001 C2_S1261 - (0)6 - / - / 3 0
5HRH2_HUMAN21 38% 0.299 PF00001 237 - (0)1 - / - / - 0
6ADA1D_HUMAN20 39% 0.245 PF00001 235 - (0)1 - / - / - 0
75HT7R_HUMAN24 38% 0.314 PF00001 C5_S1230 - (0)5 - / - / 2 0
8ADA1B_HUMAN27 36% 0.322 PF00001 C7_S1224 - (0)7 - / - / 3 0
9AA1R_HUMAN28 53% 0.383 PF00001 C5_S1223 - (0)6 - / - / 7 0
10SSR4_HUMAN20 47% 0.414 PF00001 C6_S1223 - (0)5 - / - / 4 0
115HT2C_HUMAN36 47% 0.356 PF00001 C4_S1220 - (0)8 - / 1 / 16 0
12ADRB2_HUMAN37 90% 0.393 PF00001 C3_S1220 - (0)7 - / 8 / 17 0
13DRD1_HUMAN33 41% 0.354 PF00001 C6_S1214 - (0)10 - / - / 21 0
14TAAR6_HUMAN20 34% 0.278 PF00001 209 - (0)? - / - / - 0
15SSR2_HUMAN23 44% 0.317 PF00001 203 - (0)4 - / - / - 0
165HT1D_HUMAN26 55% 0.281 PF00001 C4_S1198 - (0)6 - / - / 4 0
17DRD5_HUMAN34 40% 0.330 PF00001 C5_S1196 - (0)10 - / - / 24 0
18AA2AR_HUMAN31 99% 0.413 PF00001 C5_S1193 - (0)8 - / - / 4 0
19ADRB1_HUMAN32 86% 0.414 PF00001 C3_S1191 - (0)7 - / 6 / 16 1
20TAAR5_HUMAN20 40% 0.314 PF00001 189 - (0)1 - / - / - 0
215HT2A_HUMAN30 57% 0.356 PF00001 C6_S1185 - (0)7 - / - / 6 0
22TAAR8_HUMAN20 32% 0.347 PF00001 180 - (0)? - / - / - 0
235HT1B_HUMAN22 76% 0.281 PF00001 C5_S1174 - (0)3 - / 2 / 1 0
24TAAR1_HUMAN21 34% 0.274 PF00001 C5_S1168 - (0)1 - / - / 1 0
255HT6R_HUMAN25 35% 0.343 PF00001 C5_S1167 - (0)2 - / - / 3 0
26ADA1A_HUMAN26 37% 0.330 PF00001 C5_S1162 - (0)6 - / - / 2 0
275HT1F_HUMAN20 46% 0.342 PF00001 161 - (0)? - / - / - 0
28DRD4_HUMAN20 51% 0.232 PF00001 152 - (0)? - / - / - 0
29TRFR_HUMAN20 40% 0.309 PF00001 C2_S1149 - (0)5 - / - / 2 0
305HT1A_HUMAN20 41% 0.285 PF00001 C4_S1145 - (0)2 - / - / 2 0
31DRD2_HUMAN20 70% 0.316 PF00001 143 - (0)? - / - / - 0
32ADA2A_HUMAN20 42% 0.320 PF00001 136 - (0)? - / - / - 0
33HRH1_HUMAN20 96% 0.204 PF00001 134 - (0)? - / - / - 0
34MTLR_HUMAN20 42% 0.355 PF00001 133 - (0)? - / - / - 0
355HT2B_HUMAN21 77% 0.333 PF00001 127 - (0)1 - / - / - 0
36DRD3_HUMAN12 100% 0.299 PF00001 126 - (0)? - / - / - 0
375HT1E_HUMAN23 44% 0.271 PF00001 C5_S1124 - (0)5 - / - / 2 0
38GP119_HUMAN20 38% 0.438 PF00001 123 - (0)? - / - / - 0
39OR4L1_HUMAN4 37% 0.192 PF00001 120 - (0)? - / - / - 0
40O52N2_HUMAN10 31% 0.241 PF00001 117 - (0)? - / - / - 0
41GALR1_HUMAN20 40% 0.247 PF00001 117 - (0)2 - / - / - 0
42OPN5_HUMAN20 35% 0.177 PF10413 117 - (0)? - / - / - 0
43C3AR_HUMAN6 36% 0.198 PF00001 116 - (0)? - / - / - 0
44ADA2B_HUMAN20 53% 0.368 PF00001 114 - (0)? - / - / - 0
45GP161_HUMAN20 32% 0.336 PF00001 111 - (0)? - / - / - 0
46GPR52_HUMAN20 37% 0.293 PF00001 110 - (0)? - / - / - 0
47O11A1_HUMAN0 31% 0.304 PF00001 109 - (0)? - / - / - 0
48TA2R_HUMAN8 34% 0.375 PF00001 107 - (0)? - / - / - 0
49ACM2_HUMAN19 97% 0.222 PF00001 C9_S1106 - (0)1 - / - / 1 0
50GP173_HUMAN7 32% 0.229 PF00001 102 - (0)? - / - / - 0

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