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)
250PF01593_AOFA_RAT39 99% 0.486 PF01593 C1_S1105 - (65)10 39 / 4 / 28 12--
251PF00186_DYR_CANAX39 99% 0.788 PF00186 C3_S1110 - (52)15 37 / 24 / 17 22--
252PF00273_ALBU_HUMAN38 100% 0.707 PF00273 C4_S168 - (0)20 - / 7 / 14 12--
253PF00273_ALBU_MOUSE38 76% 0.556 PF00273 C4_S168 - (0)20 - / 6 / 19 11--
254PF00348_FPPS_HUMAN38 100% 0.485 PF00348 C1_S154 - (8)20 - / 7 / 36 16--
255PF00273_ALBU_RAT38 75% 0.573 PF00273 C6_S168 - (0)20 - / 10 / 15 11--
256PF00069_MP2K1_RABIT37 99% 0.467 PF00069 C1_S187 - (34)20 5 / 40 / 17 10--
257PF00069_MP2K1_MOUSE37 99% 0.470 PF00069 C1_S185 - (33)20 5 / 39 / 17 10--
258PF00069_MK08_RAT37 99% 0.421 PF00069 C1_S150 - (8)20 6 / 19 / 10 29--
259PF03098_PGH1_MOUSE37 89% 0.426 PF03098 C1_S174 - (4)20 - / 27 / 24 15--
260PF03098_PGH1_RAT37 87% 0.431 PF03098 C1_S174 - (4)20 - / 27 / 24 15--
261PF00069_MK10_RAT37 99% 0.382 PF00069 C2_S150 - (7)20 10 / 16 / 10 26--
262PF03098_PGH1_SHEEP37 99% 0.465 PF03098 C1_S174 - (4)20 - / 27 / 25 15--
263PF00069_MP2K2_HUMAN37 86% 0.500 PF00069 C1_S189 - (35)20 5 / 41 / 17 13 31 0.26
264PF00089_TRY3_HUMAN37 99% 0.657 PF00089 C1_S153 - (0)18 - / 4 / 27 9--
265PF00105_GCR_HUMAN37 99% 0.197 PF00105 C3_S186 - (0)20 11 / 27 / 12 16--
266PF03098_PGH1_BOVIN37 98% 0.473 PF03098 C1_S174 - (4)20 - / 27 / 23 15--
267PF00069_DAPK1_HUMAN37 100% 0.113 PF00069 C2_S141 - (25)20 1 / 8 / 26 14 9 0.05
268PF01471_MMP10_HUMAN37 100% 0.459 PF01471 C2_S146 - (0)20 4 / 7 / 21 20--
269PF00069_MK08_HUMAN37 100% 0.418 PF00069 C1_S148 - (7)20 6 / 19 / 10 29 55 -0.08
270PF01471_MMP3_HUMAN37 100% 0.513 PF01471 C3_S146 - (0)20 4 / 12 / 17 20--
271PF00105_GCR_MOUSE37 99% 0.208 PF00105 C4_S186 - (0)20 11 / 27 / 12 15--
272PF03098_PGH1_RABIT37 89% 0.454 PF03098 C1_S174 - (4)20 - / 27 / 22 15--
273PF03098_PGH1_HUMAN37 93% 0.458 PF03098 C1_S174 - (4)20 - / 27 / 24 15--
274PF00069_MK10_HUMAN37 100% 0.384 PF00069 C2_S150 - (7)20 9 / 16 / 10 26 137 0.35
275PF00069_MP2K1_HUMAN37 100% 0.469 PF00069 C1_S186 - (33)20 5 / 40 / 17 10 22 0.30
276PF00105_GCR_RAT37 95% 0.197 PF00105 C2_S186 - (0)20 11 / 28 / 14 15--
277PF01048_MTNN_ECOL636 100% 0.801 PF01048 C2_S168 - (35)20 - / 19 / 15 10--
278PF01048_MTNN_SHIB336 100% 0.801 PF01048 C2_S168 - (35)20 - / 19 / 15 10--
279PF00536_EPHA5_HUMAN36 99% 0.172 PF00536 C3_S141 - (14)20 2 / 19 / 14 19--
280PF00069_AURKB_MOUSE36 91% 0.399 PF00069 C1_S159 - (11)20 4 / 24 / 9 25--
281PF02799_NMT_PLAF736 80% 0.473 PF02799 C1_S170 - (0)20 43 / 24 / - 13--
282PF00074_RNS_BOVIN36 100% 0.478 PF00074 C8_S143 - (0)20 - / 4 / 26 13 5 0.03
283PF00397_PIN1_HUMAN36 100% 0.566 PF00397 C4_S143 - (0)20 - / 14 / 17 25--
284PF00069_MK08_MOUSE36 100% 0.469 PF00069 C1_S149 - (8)20 6 / 18 / 10 28 7 -0.36
285PF00069_KC1E_HUMAN35 100% 0.536 PF00069 C1_S150 - (4)20 - / 30 / 6 16 42 0.09
286PF00850_HDAC8_HUMAN35 100% 0.615 PF00850 C4_S170 - (0)12 - / 5 / 26 8--
287PF00069_KC1D_BOVIN35 100% 0.568 PF00069 C1_S151 - (4)20 - / 31 / 6 15 27 -0.13
288PF00105_PRGR_HUMAN35 100% 0.221 PF00105 C4_S167 - (0)20 6 / 31 / 4 19--
289PF00069_KC1D_RAT35 100% 0.560 PF00069 C1_S151 - (4)20 - / 30 / 6 15--
290PF01425_FAAH1_MOUSE35 92% 0.521 PF01425 C6_S144 - (0)20 - / 22 / 14 16--
291PF00233_PDE9A_HUMAN35 100% 0.306 PF00233 C5_S154 - (8)20 - / 12 / 28 10--
292PF00069_GSK3B_HUMAN35 100% 0.676 PF00069 C1_S160 - (13)20 1 / 17 / 16 16 207 0.26
293PF00069_GSK3B_RAT35 99% 0.680 PF00069 C1_S160 - (13)20 1 / 17 / 17 16--
294PF00089_TRY1_HUMAN35 99% 0.821 PF00089 C1_S149 - (0)16 - / 4 / 27 9--
295PF00536_EPHB3_HUMAN35 99% 0.166 PF00536 C1_S144 - (16)20 2 / 18 / 15 19--
296PF00017_KSYK_HUMAN35 100% 0.447 PF07714 C2_S148 - (10)20 6 / 23 / 8 27 55 0.19
297PF00105_NR1H4_MOUSE35 98% 0.327 PF00105 C3_S158 - (0)20 30 / 3 / - 14--
298PF00105_PRGR_RAT35 96% 0.229 PF00105 C4_S169 - (0)20 6 / 31 / 4 19--
299PF00105_PRGR_PONPY35 100% 0.823 PF00105 C5_S168 - (0)20 6 / 31 / 4 19--
300PF00105_PRGR_RABIT35 99% 0.221 PF00105 C4_S172 - (0)20 6 / 32 / 5 19--

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