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
5AA2BR_HUMAN33 63% 0.403 PF00001 C2_S1261 - (0)6 - / - / 3 0
6DRD1_HUMAN33 41% 0.354 PF00001 C6_S1214 - (0)10 - / - / 21 0
7GRM8_HUMAN32 71% 0.523 PF07562 C2_S145 - (0)20 - / 4 / 21 10
8ADRB3_HUMAN32 80% 0.322 PF00001 C3_S1285 - (0)10 - / - / 21 0
9ADRB1_HUMAN32 86% 0.414 PF00001 C3_S1191 - (0)7 - / 6 / 16 1
10GRM2_HUMAN32 99% 0.550 PF07562 C1_S147 - (0)20 - / 7 / 23 10
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
18OPSD_HUMAN26 93% 0.359 PF10413 C8_S124 - (0)5 - / - / 3 0
195HT1D_HUMAN26 55% 0.281 PF00001 C4_S1198 - (0)6 - / - / 4 0
20GRM1_HUMAN26 99% 0.555 PF07562 C1_S135 - (0)11 - / 3 / 10 7
21ADA1A_HUMAN26 37% 0.330 PF00001 C5_S1162 - (0)6 - / - / 2 0
22GRM7_HUMAN25 99% 0.569 PF07562 C1_S144 - (0)19 - / 3 / 19 10
235HT6R_HUMAN25 35% 0.343 PF00001 C5_S1167 - (0)2 - / - / 3 0
245HT4R_HUMAN24 40% 0.325 PF00001 C4_S1263 - (0)4 - / - / 4 0
255HT7R_HUMAN24 38% 0.314 PF00001 C5_S1230 - (0)5 - / - / 2 0
26CASR_HUMAN24 35% 0.459 PF07562 C2_S137 - (0)15 - / - / 13 6
275HT1E_HUMAN23 44% 0.271 PF00001 C5_S1124 - (0)5 - / - / 2 0
28SSR2_HUMAN23 44% 0.317 PF00001 203 - (0)4 - / - / - 0
29AGRL3_HUMAN23 100% 0.534 PF02140 C2_S113 - (0)1 1 / - / 3 0
305HT1B_HUMAN22 76% 0.281 PF00001 C5_S1174 - (0)3 - / 2 / 1 0
315HT2B_HUMAN21 77% 0.333 PF00001 127 - (0)1 - / - / - 0
32FZD5_HUMAN21 83% 0.220 PF01392 C2_S113 - (0)3 - / - / 3 0
33HRH2_HUMAN21 38% 0.299 PF00001 237 - (0)1 - / - / - 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
37MCHR1_HUMAN20 34% 0.279 PF00001 74 - (0)? - / - / - 0
38CCR1_HUMAN20 48% 0.353 PF00001 C2_S162 - (0)2 2 / - / - 1
39QRFPR_HUMAN20 31% 0.253 PF00001 45 - (0)? - / - / - 0
40GABR1_HUMAN20 100% 0.579 PF01094 C3_S132 - (0)8 - / 2 / 6 8
41TAAR5_HUMAN20 40% 0.314 PF00001 189 - (0)1 - / - / - 0
42OX1R_HUMAN20 74% 0.395 PF00001 60 - (0)? - / - / - 0
43CCR8_HUMAN20 36% 0.328 PF00001 54 - (0)1 - / - / - 0
44CXCR5_HUMAN20 41% 0.285 PF00001 64 - (0)? - / - / - 0
45CCR2_HUMAN20 63% 0.311 PF00001 65 - (0)2 - / - / - 0
46LT4R1_HUMAN20 31% 0.313 PF00001 60 - (0)? - / - / - 0
47OPN3_HUMAN20 32% 0.282 PF10413 80 - (0)1 - / - / - 0
48GPR1_HUMAN20 41% 0.283 PF00001 C4_S158 - (0)2 - / - / 2 0
49ADA2B_HUMAN20 53% 0.368 PF00001 114 - (0)? - / - / - 0
50NK1R_HUMAN20 100% 0.245 PF00001 52 - (0)? - / - / - 0

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