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)
200PF07686_VGFR1_MOUSE16 92% 0.123 PF07686 C2_S118 - (0)16 9 / 7 / - 16--
201PF07714_TYRO3_HUMAN18 97% 0.134 PF01833 C1_S118 - (1)18 9 / 6 / 3 16--
202PF07686_UFO_HUMAN17 69% 0.153 PF01833 C1_S118 - (1)18 9 / 5 / 3 15--
203PF01596_COMT_HUMAN19 100% 0.452 PF01596 C1_S140 - (14)17 9 / 4 / 5 15--
204PF07714_DDR1_HUMAN14 100% 0.203 PF07714 C2_S115 - (0)13 9 / 4 / 2 9--
205PF00494_FDFT_RAT12 86% 0.478 PF00494 C5_S117 - (0)10 9 / 3 / 1 7--
206PF00494_FDFT_HUMAN12 100% 0.459 PF00494 C3_S122 - (0)9 9 / 3 / 1 7--
207PF01467_NADD_BACHK20 100% 0.648 PF01467 C1_S144 - (23)17 9 / 2 / 8 6--
208PF00067_CP51_MYCTU13 100% 0.796 PF00067 C1_S163 - (5)7 9 / 2 / 8 8--
209PF01712_DCK_HUMAN62 100% 0.720 PF01712 C2_S1151 - (116)20 8 / 51 / 59 24--
210PF00069_AURKA_MOUSE54 98% 0.334 PF00069 C1_S176 - (10)20 8 / 40 / 4 38--
211PF00105_ESR1_HUMAN55 100% 0.269 PF00105 C6_S178 - (0)20 8 / 39 / 8 26--
212PF00105_ESR1_MOUSE55 97% 0.276 PF00105 C5_S178 - (0)20 8 / 37 / 10 25--
213PF00105_ESR1_RAT55 96% 0.303 PF00105 C5_S178 - (0)20 8 / 37 / 10 24--
214PF00233_PDE10_HUMAN55 100% 0.199 PF00233 C3_S170 - (8)20 8 / 24 / 23 34--
215PF00018_BLK_MOUSE29 75% 0.466 PF00018 C2_S140 - (4)20 8 / 18 / 5 22--
216PF01471_MMP8_RAT27 78% 0.524 PF01471 C1_S142 - (0)20 8 / 15 / 9 12--
217PF00017_FES_HUMAN30 99% 0.254 PF00018 C1_S146 - (7)20 8 / 15 / 9 17 13 0.09
218PF00018_CSK_RAT24 100% 0.563 PF00018 C1_S138 - (6)20 8 / 12 / 7 18--
219PF07714_MERTK_HUMAN25 100% 0.156 PF07714 C1_S126 - (3)20 8 / 12 / 5 19--
220PF00135_ACES_TORMA45 97% 0.716 PF00135 C2_S187 - (1)20 8 / 11 / 13 16--
221PF00440_ETHR_MYCTU18 100% 0.552 PF00440 C1_S138 - (0)17 8 / 11 / - 14--
222PF00135_ACES_TORCA42 100% 0.717 PF00135 C1_S175 - (1)20 8 / 10 / 11 17--
223PF07714_VGFR3_HUMAN14 69% 0.114 PF07686 C2_S116 - (0)14 8 / 6 / - 14--
224PF01596_COMT_RAT19 100% 0.452 PF01596 C1_S140 - (14)17 8 / 5 / 6 15--
225PF13193_LUCI_PHOPY15 100% 0.603 PF13193 C1_S128 - (8)12 8 / 4 / 3 7--
226PF01712_DCK_MOUSE62 94% 0.711 PF01712 C1_S1151 - (116)20 7 / 52 / 57 23--
227PF00856_EHMT2_MOUSE34 99% 0.111 PF00856 C2_S160 - (32)15 7 / 47 / 4 7--
228PF00856_EHMT2_HUMAN34 100% 0.115 PF00856 C2_S160 - (32)15 7 / 47 / 4 7--
229PF00069_AURKB_HUMAN63 99% 0.409 PF00069 C1_S187 - (13)20 7 / 40 / 17 39 23 0.39
230PF00244_1433S_HUMAN55 100% 0.570 PF00244 C11_S179 - (0)20 7 / 28 / 23 7--
231PF01471_MMP12_HUMAN57 100% 0.543 PF01471 C3_S1123 - (0)20 7 / 27 / 29 36--
232PF01562_ADA17_RAT41 95% 0.172 PF01562 C4_S156 - (0)20 7 / 25 / 9 17--
233PF01562_ADA17_HUMAN41 99% 0.165 PF01562 C4_S156 - (0)20 7 / 25 / 9 17--
234PF07647_TNKS2_HUMAN34 96% 0.077 PF07647 C2_S139 - (0)20 7 / 24 / 7 28--
235PF01471_MMP8_HUMAN27 100% 0.561 PF01471 C1_S142 - (0)20 7 / 15 / 8 12--
236PF00017_ZAP70_HUMAN24 100% 0.548 PF00017 C1_S137 - (11)18 7 / 12 / 7 16 31 0.17
237PF02375_KDM4A_HUMAN49 100% 0.202 PF02375 C5_S186 - (0)20 7 / 8 / 51 14--
238PF02375_KDM4C_HUMAN49 100% 0.190 PF02375 C7_S186 - (0)20 7 / 8 / 49 14--
239PF01833_RON_HUMAN20 99% 0.119 PF01833 C1_S128 - (0)20 7 / 8 / 6 18--
240PF01833_RON_MOUSE20 87% 0.115 PF01833 C2_S129 - (0)20 7 / 8 / 6 18--
241PF02180_B2CL2_HUMAN14 99% 0.485 PF02180 C1_S129 - (0)15 7 / 5 / 5 8--
242PF02180_B2CL2_CANFA14 99% 0.485 PF02180 C2_S129 - (0)15 7 / 5 / 5 8--
243PF00856_EHMT1_HUMAN33 100% 0.105 PF00856 C2_S160 - (32)17 6 / 46 / 4 7--
244PF01471_MMP12_RABIT54 77% 0.501 PF01471 C2_S1130 - (0)20 6 / 32 / 32 34--
245PF00105_PRGR_RABIT35 99% 0.221 PF00105 C4_S172 - (0)20 6 / 32 / 5 19--
246PF00105_PRGR_HUMAN35 100% 0.221 PF00105 C4_S167 - (0)20 6 / 31 / 4 19--
247PF00105_PRGR_RAT35 96% 0.229 PF00105 C4_S169 - (0)20 6 / 31 / 4 19--
248PF00105_PRGR_PONPY35 100% 0.823 PF00105 C5_S168 - (0)20 6 / 31 / 4 19--
249PF00089_FA10_HUMAN41 100% 0.389 PF00089 C3_S149 - (0)20 6 / 29 / 4 31--
250PF00017_KSYK_RAT35 97% 0.456 PF07714 C2_S148 - (10)20 6 / 23 / 8 27--

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