Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
BDB (Jul 2014)

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
Screening
(Multi Mol2 user file : ALL)




Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number] Nb
R (BestAtome)
1PF00850_HDAC7_HUMAN19 100% 0.220 PF00850 C4_S124 - (0)14 - / 6 / 12 8--
2PF00018_SRC_HUMAN63 100% 0.651 PF00018 C4_S175 - (4)20 19 / 35 / 9 32 253 0.29
3PF00105_RXRA_MOUSE33 100% 0.450 PF00105 C6_S149 - (0)20 16 / 13 / 4 16--
4PF00090_ATS5_HUMAN14 100% 0.168 PF01421 C2_S123 - (0)13 1 / 9 / 4 8--
5PF02375_KDM4E_HUMAN24 100% 0.539 PF02375 C3_S159 - (0)15 1 / 6 / 23 10--
6PF00018_SRC_CHICK62 100% 0.662 PF00018 C3_S175 - (4)20 21 / 29 / 11 30 2 -
7PF02786_ACCC_ECOLI25 100% 0.869 PF02786 C1_S133 - (17)19 2 / 14 / 12 12--
8PF00069_TNIK_HUMAN13 100% 0.115 PF00069 C1_S118 - (0)12 - / 4 / 7 9 18 -0.02
9PF02825_PAR14_HUMAN21 100% 0.050 PF02825 C2_S127 - (1)14 - / 9 / 13 8--
10PF08515_TGFR1_HUMAN16 100% 0.350 PF08515 C1_S121 - (0)19 1 / 12 / 3 13--
11PF00962_ADA_MOUSE27 100% 0.823 PF00962 C6_S146 - (16)20 2 / 9 / 14 17--
12PF00144_BLAC_STAAU11 100% 0.827 PF00144 C1_S124 - (5)11 - / - / 11 9--
13PF00026_CATE_HUMAN12 100% 0.402 PF00026 C2_S127 - (0)10 6 / 2 / 7 6 2 -1.00
14PF07647_EPHA4_MOUSE28 100% 0.171 PF00536 C2_S128 - (10)20 1 / 14 / 11 15--
15PF00248_AK1C1_HUMAN52 100% 0.855 PF00248 C8_S1121 - (85)20 49 / 8 / 31 26--
16PF00105_RORG_HUMAN20 100% 0.291 PF00105 C3_S159 - (0)18 4 / 18 / 6 10--
17PF00106_DHB1_HUMAN29 100% 0.749 PF00106 C2_S161 - (55)13 12 / 16 / 13 9--
18PF12474_STK10_HUMAN15 100% 0.163 PF00069 C1_S115 - (0)15 2 / 8 / 5 11--
19PF00105_NR1H3_HUMAN32 100% 0.455 PF00105 C6_S162 - (0)20 15 / 11 / 7 11--
20PF00092_ITAL_HUMAN23 100% 0.228 PF00092 C1_S126 - (0)20 1 / 15 / 6 10--
21PF00026_BACE2_HUMAN19 100% 0.404 PF00026 C7_S136 - (0)19 3 / 6 / 8 13 17 0.66
22PF00089_TRYP_PIG41 100% 0.840 PF00089 C1_S159 - (0)20 2 / 4 / 28 15--
23PF00254_FKB1A_HUMAN49 100% 0.748 PF00254 C3_S157 - (0)20 3 / 32 / 5 15--
24PF00659_PLK1_HUMAN16 100% 0.264 PF00659 C1_S142 - (6)17 5 / 10 / 5 13--
25PF00018_GRB2_MOUSE57 100% 0.544 PF00018 C4_S176 - (0)19 5 / 49 / 5 9--
26PF07973_SYTC_HUMAN8 100% 0.374 PF07973 C1_S18 - (2)7 1 / 5 / 2 6--
27PF00128_MALX3_YEAST21 100% 0.516 PF00128 C1_S146 - (0)14 - / - / 21 6--
28PF00069_ST32A_HUMAN14 100% 0.469 PF00433 C1_S144 - (10)15 - / 11 / 4 10 6 -0.44
29PF00061_FABP5_HUMAN19 100% 0.495 PF00061 C4_S131 - (0)14 - / 7 / 12 9 9 0.12
30PF00186_DYR_PNECA47 100% 0.803 PF00186 C4_S1116 - (59)20 44 / 27 / 20 39--
31PF00089_THRB_HUMAN45 100% 0.378 PF00089 C5_S184 - (0)20 15 / 40 / 12 17--
32PF00069_MAPK3_HUMAN18 100% 0.389 PF00069 C1_S134 - (6)19 - / 15 / 6 13--
33PF00105_PRGR_PONPY35 100% 0.823 PF00105 C5_S168 - (0)20 6 / 31 / 4 19--
34PF00069_GSK3B_HUMAN35 100% 0.676 PF00069 C1_S160 - (13)20 1 / 17 / 16 16 207 0.26
35PF00850_HDAC4_HUMAN19 100% 0.202 PF00850 C2_S126 - (0)16 - / 8 / 12 10--
36PF00069_MP2K6_HUMAN18 100% 0.396 PF00069 C1_S151 - (22)20 3 / 24 / 6 14 10 -0.11
37PF04095_NAMPT_HUMAN42 100% 0.537 PF04095 C1_S196 - (8)20 - / - / 15 8--
38PF00551_PUR3_ECOLI24 100% 0.883 PF00551 C5_S144 - (12)20 9 / 10 / 11 9--
39PF12549_TY3H_HUMAN12 100% 0.536 PF00351 C1_S115 - (14)10 - / - / 15 7--
40PF00809_DHPS_ECOL619 100% 0.886 PF00809 C1_S125 - (14)20 - / 4 / 21 14--
41PF00018_ABL1_HUMAN69 100% 0.318 PF00018 C3_S184 - (11)20 48 / 22 / 7 26 258 0.52
42PF03167_UNG_HUMAN18 100% 0.625 PF03167 C1_S130 - (0)11 4 / 7 / 11 6--
43PF01467_NADD_BACHK20 100% 0.648 PF01467 C1_S144 - (23)17 9 / 2 / 8 6--
44PF01327_DEF_MYCTU20 100% 0.584 PF01327 C1_S138 - (5)17 - / 5 / 13 7--
45PF12680_SDIS_PSEPU26 100% 0.518 PF12680 C1_S126 - (4)12 - / 3 / 19 6--
46PF00074_RNAS1_BOVIN29 100% 0.433 PF00074 C9_S139 - (0)20 - / 1 / 24 9 21 0.59
47PF13931_KIF11_HUMAN44 100% 0.182 PF13931 C1_S175 - (0)20 3 / 55 / 10 21--
48PF00069_MP2K4_HUMAN19 100% 0.365 PF00069 C1_S153 - (25)20 - / 20 / 14 18 18 0.16
49PF00089_TRY2_RAT41 100% 0.874 PF00089 C1_S156 - (0)20 - / 5 / 27 9--
50PF00069_PHKG2_HUMAN15 100% 0.362 PF00069 C1_S137 - (13)14 - / 5 / 13 9 15 -0.32

<< Page / 21 >> - Show