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)
350PF00105_NR1H3_HUMAN32 100% 0.455 PF00105 C6_S162 - (0)20 15 / 11 / 7 11--
351PF00105_NR1H2_HUMAN32 100% 0.536 PF00105 C6_S159 - (0)20 16 / 10 / 7 12--
352PF00105_ERR2_HUMAN32 79% 0.267 PF00105 C5_S163 - (0)13 - / 18 / 16 7--
353PF01712_DNK_DROME32 100% 0.621 PF01712 C1_S165 - (49)20 10 / 8 / 18 12--
354PF00536_EPHB1_HUMAN32 100% 0.155 PF00536 C1_S139 - (14)20 1 / 17 / 15 15--
355PF00102_PTN1_HUMAN32 100% 0.544 PF00102 C3_S142 - (6)20 2 / 20 / 9 15--
356PF00105_ERR3_HUMAN32 100% 0.314 PF00105 C5_S162 - (0)13 2 / 20 / 12 7--
357PF00069_MK09_HUMAN32 97% 0.398 PF00069 C1_S152 - (6)11 4 / 23 / 11 9 9 0.23
358PF00018_TEC_HUMAN32 67% 0.312 PF00018 C3_S139 - (2)20 5 / 26 / 3 27 18 0.58
359PF00069_PDPK1_HUMAN31 100% 0.269 PF00069 C2_S162 - (10)20 4 / 20 / 6 25 37 0.68
360PF07714_FAK1_HUMAN31 100% 0.308 PF07714 C1_S132 - (3)20 4 / 15 / 10 15--
361PF00089_FA11_HUMAN31 100% 0.391 PF00089 C4_S140 - (0)20 3 / 5 / 21 23--
362PF00069_CHK2_HUMAN31 100% 0.547 PF00069 C1_S141 - (9)20 1 / 14 / 15 26 19 0.10
363PF00194_CAH12_HUMAN31 100% 0.557 PF00194 C1_S161 - (16)20 - / - / 25 10--
364PF03414_GGTA1_PIG31 88% 0.639 PF03414 C1_S153 - (46)19 - / 27 / 20 9--
365PF07714_VGFR2_DANRE31 74% 0.133 PF07686 C2_S133 - (0)20 22 / 9 / - 24--
366PF10613_GRIA2_RAT31 100% 0.406 PF10613 C1_S133 - (0)20 - / - / 16 7--
367PF09281_DPO1_THEAQ31 100% 0.522 PF09281 C1_S1160 - (88)7 33 / 15 / 17 17--
368PF00337_LEG3_MOUSE31 87% 0.339 PF00337 C2_S148 - (0)13 - / - / 31 7--
369PF00061_RABP1_CHICK31 95% 0.611 PF00061 C10_S143 - (0)20 - / 11 / 18 12--
370PF00536_EPHB2_MOUSE31 99% 0.165 PF00536 C2_S139 - (11)20 1 / 20 / 11 17--
371PF00071_RAP1A_HUMAN31 100% 0.712 PF00071 C1_S145 - (43)12 15 / 17 / 2 6--
372PF00017_BMX_MOUSE31 93% 0.272 PF00018 C2_S142 - (2)20 5 / 25 / 3 22--
373PF03414_GGTA1_BOVIN31 100% 0.636 PF03414 C1_S153 - (46)13 - / 27 / 20 8--
374PF00069_MK14_RAT31 99% 0.742 PF00069 C1_S143 - (5)20 5 / 15 / 9 19--
375PF01048_PUNA_MYCTU30 100% 0.859 PF01048 C7_S144 - (27)20 - / 6 / 26 14--
376PF00105_PPARA_HUMAN30 100% 0.496 PF00105 C5_S166 - (0)20 12 / 7 / 12 14--
377PF00433_SGK1_HUMAN30 99% 0.368 PF00433 C1_S159 - (9)20 3 / 35 / 6 20--
378PF00069_AUKBA_XENLA30 100% 0.385 PF00069 C1_S153 - (11)20 3 / 20 / 8 20--
379PF00105_PPARA_MOUSE30 92% 0.501 PF00105 C4_S167 - (0)20 6 / 13 / 11 14--
380PF00018_BLK_HUMAN30 74% 0.424 PF00018 C2_S139 - (4)20 9 / 18 / 4 23 49 0.04
381PF00105_MCR_RAT30 94% 0.152 PF00105 C4_S154 - (0)17 1 / 28 / 2 12--
382PF00017_BMX_HUMAN30 98% 0.224 PF00018 C1_S140 - (2)20 5 / 25 / 3 22 19 0.32
383PF00619_BIRC3_HUMAN30 100% 0.259 PF00619 C3_S142 - (0)20 - / 26 / 5 10--
384PF00144_BLAC_BACLI30 100% 0.750 PF00144 C2_S142 - (5)20 - / 1 / 23 8--
385PF00017_FES_HUMAN30 99% 0.254 PF00018 C1_S146 - (7)20 8 / 15 / 9 17 13 0.09
386PF00105_PPARA_CANFA30 97% 0.490 PF00105 C3_S166 - (0)20 12 / 8 / 11 15--
387PF00619_BIRC2_HUMAN30 100% 0.297 PF00619 C2_S141 - (0)19 1 / 26 / 4 10--
388PF00709_PURA2_HUMAN30 100% 0.502 PF00709 C1_S163 - (48)17 - / 35 / 23 8--
389PF00105_PPARA_RAT30 92% 0.494 PF00105 C2_S166 - (0)20 6 / 12 / 12 14--
390PF00069_MK14_MOUSE30 100% 0.745 PF00069 C1_S142 - (5)20 6 / 14 / 9 19 19 -0.02
391PF00337_LEG1_HUMAN30 100% 0.631 PF00337 C8_S143 - (0)13 - / - / 24 6--
392PF00161_RICI_RICCO30 100% 0.378 PF00161 C2_S134 - (0)20 1 / 6 / 17 20--
393PF03414_GGTA1_MOUSE30 79% 0.345 PF03414 C1_S151 - (44)19 - / 26 / 19 9--
394PF00018_BLK_MOUSE29 75% 0.466 PF00018 C2_S140 - (4)20 8 / 18 / 5 22--
395PF01327_DEF_PSEAE29 100% 0.728 PF01327 C2_S142 - (4)20 - / 10 / 16 9--
396PF00026_PENP_PENJA29 100% 0.820 PF00026 C5_S146 - (0)19 6 / 19 / 5 15 7 -0.76
397PF07647_EPHA7_HUMAN29 100% 0.182 PF00536 C2_S130 - (10)20 - / 8 / 20 15--
398PF01180_PYRD_HUMAN29 100% 0.506 PF01180 C4_S1113 - (67)6 30 / 24 / 33 23--
399PF00017_JAK2_HUMAN29 99% 0.135 PF00017 C2_S136 - (5)20 3 / 23 / 4 21 294 0.18
400PF00433_AKT1_MOUSE29 98% 0.398 PF00433 C1_S162 - (8)20 4 / 40 / 10 21--

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