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]
1ADRB2_HUMAN37 90% 0.393 PF00001 C3_S1220 - (0)7 - / 8 / 17 0
25HT2C_HUMAN36 47% 0.356 PF00001 C4_S1220 - (0)8 - / 1 / 16 0
3GRM3_HUMAN35 99% 0.507 PF07562 C1_S137 - (0)17 - / 6 / 18 9
4DRD5_HUMAN34 40% 0.330 PF00001 C5_S1196 - (0)10 - / - / 24 0
5DRD1_HUMAN33 41% 0.354 PF00001 C6_S1214 - (0)10 - / - / 21 0
6AA2BR_HUMAN33 63% 0.403 PF00001 C2_S1261 - (0)6 - / - / 3 0
7GRM2_HUMAN32 99% 0.550 PF07562 C1_S147 - (0)20 - / 7 / 23 10
8ADRB3_HUMAN32 80% 0.322 PF00001 C3_S1285 - (0)10 - / - / 21 0
9GRM8_HUMAN32 71% 0.523 PF07562 C2_S145 - (0)20 - / 4 / 21 10
10ADRB1_HUMAN32 86% 0.414 PF00001 C3_S1191 - (0)7 - / 6 / 16 1
11AA2AR_HUMAN31 99% 0.413 PF00001 C5_S1193 - (0)8 - / - / 4 0
12GRM6_HUMAN30 66% 0.493 PF07562 C1_S143 - (0)20 - / 4 / 20 10
135HT2A_HUMAN30 57% 0.356 PF00001 C6_S1185 - (0)7 - / - / 6 0
14GRM4_HUMAN28 68% 0.539 PF07562 C1_S144 - (0)19 - / 4 / 18 10
15AA1R_HUMAN28 53% 0.383 PF00001 C5_S1223 - (0)6 - / - / 7 0
16GRM5_HUMAN27 99% 0.555 PF07562 C1_S137 - (0)11 - / 3 / 10 7
17ADA1B_HUMAN27 36% 0.322 PF00001 C7_S1224 - (0)7 - / - / 3 0
18GRM1_HUMAN26 99% 0.555 PF07562 C1_S135 - (0)11 - / 3 / 10 7
19OPSD_HUMAN26 93% 0.359 PF10413 C8_S124 - (0)5 - / - / 3 0
20ADA1A_HUMAN26 37% 0.330 PF00001 C5_S1162 - (0)6 - / - / 2 0
215HT1D_HUMAN26 55% 0.281 PF00001 C4_S1198 - (0)6 - / - / 4 0
225HT6R_HUMAN25 35% 0.343 PF00001 C5_S1167 - (0)2 - / - / 3 0
23GRM7_HUMAN25 99% 0.569 PF07562 C1_S144 - (0)19 - / 3 / 19 10
245HT4R_HUMAN24 40% 0.325 PF00001 C4_S1263 - (0)4 - / - / 4 0
25CASR_HUMAN24 35% 0.459 PF07562 C2_S137 - (0)15 - / - / 13 6
265HT7R_HUMAN24 38% 0.314 PF00001 C5_S1230 - (0)5 - / - / 2 0
27AGRL3_HUMAN23 100% 0.534 PF02140 C2_S113 - (0)1 1 / - / 3 0
28SSR2_HUMAN23 44% 0.317 PF00001 203 - (0)4 - / - / - 0
295HT1E_HUMAN23 44% 0.271 PF00001 C5_S1124 - (0)5 - / - / 2 0
305HT1B_HUMAN22 76% 0.281 PF00001 C5_S1174 - (0)3 - / 2 / 1 0
315HT2B_HUMAN21 77% 0.333 PF00001 127 - (0)1 - / - / - 0
32HRH2_HUMAN21 38% 0.299 PF00001 237 - (0)1 - / - / - 0
33FZD5_HUMAN21 83% 0.220 PF01392 C2_S113 - (0)3 - / - / 3 0
34TAAR1_HUMAN21 34% 0.274 PF00001 C5_S1168 - (0)1 - / - / 1 0
35OPSR_HUMAN21 42% 0.370 PF10413 C10_S124 - (0)5 - / - / 3 0
36OPSG_HUMAN21 43% 0.404 PF10413 C10_S123 - (0)5 - / - / 4 0
37CNR2_HUMAN20 37% 0.355 PF00001 99 - (0)2 - / - / - 0
38LPAR4_HUMAN20 35% 0.184 PF00001 58 - (0)? - / - / - 0
39CCR9_HUMAN20 40% 0.309 PF00001 C4_S172 - (0)4 - / - / 1 0
40OXGR1_HUMAN20 37% 0.301 PF00001 52 - (0)? - / - / - 0
41RXFP2_HUMAN20 38% 0.481 PF01582 5 - (0)? - / - / - 0
42RGR_HUMAN20 31% 0.323 PF10413 56 - (0)? - / - / - 0
43CCR4_HUMAN20 43% 0.368 PF00001 63 - (0)2 - / - / - 0
44RXFP1_HUMAN20 37% 0.281 PF13855 14 - (0)? - / - / - 0
45HRH3_HUMAN20 40% 0.257 PF00001 C1_S159 - (0)2 - / - / 2 0
46GPR31_HUMAN20 34% 0.329 PF10413 42 - (0)? - / - / - 0
47FPR1_HUMAN20 41% 0.302 PF00001 56 - (0)? - / - / - 0
48MTR1L_HUMAN20 34% 0.283 PF00001 88 - (0)? - / - / - 0
49TAAR3_HUMAN20 50% 0.301 PF00001 74 - (0)? - / - / - 0
50GPC6A_HUMAN20 37% 0.389 PF07562 26 - (0)? - / - / - 0

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