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]
1GRM8_HUMAN32 71% 0.523 PF07562 C2_S145 - (0)20 - / 4 / 21 10
2GRM6_HUMAN30 66% 0.493 PF07562 C1_S143 - (0)20 - / 4 / 20 10
3GRM2_HUMAN32 99% 0.550 PF07562 C1_S147 - (0)20 - / 7 / 23 10
4GRM7_HUMAN25 99% 0.569 PF07562 C1_S144 - (0)19 - / 3 / 19 10
5GRM4_HUMAN28 68% 0.539 PF07562 C1_S144 - (0)19 - / 4 / 18 10
6GRM3_HUMAN35 99% 0.507 PF07562 C1_S137 - (0)17 - / 6 / 18 9
7CASR_HUMAN24 35% 0.459 PF07562 C2_S137 - (0)15 - / - / 13 6
8GRM1_HUMAN26 99% 0.555 PF07562 C1_S135 - (0)11 - / 3 / 10 7
9GRM5_HUMAN27 99% 0.555 PF07562 C1_S137 - (0)11 - / 3 / 10 7
10DRD1_HUMAN33 41% 0.354 PF00001 C6_S1214 - (0)10 - / - / 21 0
11ADRB3_HUMAN32 80% 0.322 PF00001 C3_S1285 - (0)10 - / - / 21 0
12DRD5_HUMAN34 40% 0.330 PF00001 C5_S1196 - (0)10 - / - / 24 0
13GABR1_HUMAN20 100% 0.579 PF01094 C3_S132 - (0)8 - / 2 / 6 8
14AA2AR_HUMAN31 99% 0.413 PF00001 C5_S1193 - (0)8 - / - / 4 0
155HT2C_HUMAN36 47% 0.356 PF00001 C4_S1220 - (0)8 - / 1 / 16 0
16ADRB2_HUMAN37 90% 0.393 PF00001 C3_S1220 - (0)7 - / 8 / 17 0
17ADRB1_HUMAN32 86% 0.414 PF00001 C3_S1191 - (0)7 - / 6 / 16 1
18ADA1B_HUMAN27 36% 0.322 PF00001 C7_S1224 - (0)7 - / - / 3 0
195HT2A_HUMAN30 57% 0.356 PF00001 C6_S1185 - (0)7 - / - / 6 0
20AA2BR_HUMAN33 63% 0.403 PF00001 C2_S1261 - (0)6 - / - / 3 0
21ACM1_HUMAN20 63% 0.264 PF00001 C3_S143 - (0)6 - / 7 / - 3
22AA1R_HUMAN28 53% 0.383 PF00001 C5_S1223 - (0)6 - / - / 7 0
23ADA1A_HUMAN26 37% 0.330 PF00001 C5_S1162 - (0)6 - / - / 2 0
245HT1D_HUMAN26 55% 0.281 PF00001 C4_S1198 - (0)6 - / - / 4 0
25ACM4_HUMAN20 84% 0.218 PF00001 C5_S155 - (0)5 - / 6 / - 3
26GPR63_HUMAN20 38% 0.197 PF00001 C3_S174 - (0)5 - / - / 3 0
275HT1E_HUMAN23 44% 0.271 PF00001 C5_S1124 - (0)5 - / - / 2 0
285HT7R_HUMAN24 38% 0.314 PF00001 C5_S1230 - (0)5 - / - / 2 0
29SSR4_HUMAN20 47% 0.414 PF00001 C6_S1223 - (0)5 - / - / 4 0
30OPSR_HUMAN21 42% 0.370 PF10413 C10_S124 - (0)5 - / - / 3 0
31TRFR_HUMAN20 40% 0.309 PF00001 C2_S1149 - (0)5 - / - / 2 0
32OPSG_HUMAN21 43% 0.404 PF10413 C10_S123 - (0)5 - / - / 4 0
33OPSD_HUMAN26 93% 0.359 PF10413 C8_S124 - (0)5 - / - / 3 0
34CCR9_HUMAN20 40% 0.309 PF00001 C4_S172 - (0)4 - / - / 1 0
35LGR5_HUMAN19 100% 0.446 PF01462 24 - (0)4 - / - / - 0
365HT4R_HUMAN24 40% 0.325 PF00001 C4_S1263 - (0)4 - / - / 4 0
37SSR2_HUMAN23 44% 0.317 PF00001 203 - (0)4 - / - / - 0
38OPRK_HUMAN20 98% 0.361 PF00001 C2_S157 - (0)4 - / 3 / 5 2
39GPR45_HUMAN20 38% 0.285 PF00001 76 - (0)3 - / - / - 0
40AGTR2_HUMAN20 34% 0.358 PF00001 66 - (0)3 - / - / - 0
41CXCR3_HUMAN20 44% 0.187 PF00001 C4_S174 - (0)3 - / - / 3 0
42NMUR1_HUMAN20 39% 0.318 PF00001 60 - (0)3 - / - / - 0
43FZD5_HUMAN21 83% 0.220 PF01392 C2_S113 - (0)3 - / - / 3 0
445HT1B_HUMAN22 76% 0.281 PF00001 C5_S1174 - (0)3 - / 2 / 1 0
45CALCR_HUMAN9 65% 0.408 PF02793 C4_S17 - (0)3 - / 3 / - 2
46OPRM_HUMAN20 97% 0.365 PF00001 C3_S150 - (0)3 - / 1 / 2 0
47NTR1_HUMAN20 90% 0.476 PF00001 75 - (0)2 - / - / - 0
485HT6R_HUMAN25 35% 0.343 PF00001 C5_S1167 - (0)2 - / - / 3 0
495HT1A_HUMAN20 41% 0.285 PF00001 C4_S1145 - (0)2 - / - / 2 0
50NPY1R_HUMAN19 31% 0.207 PF10413 41 - (0)2 - / - / - 0

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