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)
350PF00090_ATS5_HUMAN14 100% 0.168 PF01421 C2_S123 - (0)13 1 / 9 / 4 8--
351PF00092_ITAL_HUMAN23 100% 0.228 PF00092 C1_S126 - (0)20 1 / 15 / 6 10--
352PF00092_ITAL_MOUSE23 73% 0.326 PF00092 C4_S126 - (0)20 1 / 16 / 6 10--
353PF00098_POL_HV1H258 100% 0.313 PF00098 C6_S166 - (0)20 28 / 28 / 3 38--
354PF00098_POL_HV1N556 97% 0.309 PF00098 C5_S163 - (0)20 27 / 28 / 2 35--
355PF00102_PTN1_HUMAN32 100% 0.544 PF00102 C3_S142 - (6)20 2 / 20 / 9 15--
356PF00102_PTN1_RAT32 96% 0.552 PF00102 C3_S142 - (6)20 2 / 19 / 10 16--
357PF00102_PTN2_HUMAN17 100% 0.351 PF00102 C1_S121 - (0)16 - / 13 / 4 14--
358PF00102_PTN3_HUMAN12 100% 0.153 PF00102 C2_S117 - (0)11 - / 3 / 7 9--
359PF00102_PTPRG_HUMAN14 100% 0.219 PF00102 C2_S117 - (1)13 2 / 6 / 5 7--
360PF00105_ANDR_HUMAN65 100% 0.208 PF00105 C2_S1122 - (0)20 3 / 67 / 22 22--
361PF00105_ANDR_MOUSE65 100% 0.208 PF00105 C4_S1125 - (0)20 3 / 67 / 23 22--
362PF00105_ANDR_RAT65 100% 0.211 PF00105 C2_S1122 - (0)20 3 / 67 / 20 22--
363PF00105_ERR1_HUMAN18 100% 0.287 PF00105 C1_S153 - (0)13 2 / 15 / 4 8--
364PF00105_ERR2_HUMAN32 79% 0.267 PF00105 C5_S163 - (0)13 - / 18 / 16 7--
365PF00105_ERR3_HUMAN32 100% 0.314 PF00105 C5_S162 - (0)13 2 / 20 / 12 7--
366PF00105_ESR1_HUMAN55 100% 0.269 PF00105 C6_S178 - (0)20 8 / 39 / 8 26--
367PF00105_ESR1_MOUSE55 97% 0.276 PF00105 C5_S178 - (0)20 8 / 37 / 10 25--
368PF00105_ESR1_RAT55 96% 0.303 PF00105 C5_S178 - (0)20 8 / 37 / 10 24--
369PF00105_ESR2_HUMAN61 100% 0.274 PF00105 C4_S199 - (0)20 4 / 47 / 12 29--
370PF00105_ESR2_RAT62 100% 0.268 PF00105 C4_S1129 - (0)20 4 / 51 / 42 28--
371PF00105_GAG_AVIER15 87% 0.209 PF00105 C1_S143 - (0)10 4 / 12 / 2 7--
372PF00105_GCR_HUMAN37 99% 0.197 PF00105 C3_S186 - (0)20 11 / 27 / 12 16--
373PF00105_GCR_MOUSE37 99% 0.208 PF00105 C4_S186 - (0)20 11 / 27 / 12 15--
374PF00105_GCR_RAT37 95% 0.197 PF00105 C2_S186 - (0)20 11 / 28 / 14 15--
375PF00105_MCR_HUMAN29 99% 0.146 PF00105 C5_S153 - (0)16 1 / 28 / 3 8--
376PF00105_MCR_RAT30 94% 0.152 PF00105 C4_S154 - (0)17 1 / 28 / 2 12--
377PF00105_NR1H2_HUMAN32 100% 0.536 PF00105 C6_S159 - (0)20 16 / 10 / 7 12--
378PF00105_NR1H3_HUMAN32 100% 0.455 PF00105 C6_S162 - (0)20 15 / 11 / 7 11--
379PF00105_NR1H4_HUMAN35 100% 0.338 PF00105 C4_S158 - (0)20 30 / 3 / - 17--
380PF00105_NR1H4_MOUSE35 98% 0.327 PF00105 C3_S158 - (0)20 30 / 3 / - 14--
381PF00105_PPARA_CANFA30 97% 0.490 PF00105 C3_S166 - (0)20 12 / 8 / 11 15--
382PF00105_PPARA_HUMAN30 100% 0.496 PF00105 C5_S166 - (0)20 12 / 7 / 12 14--
383PF00105_PPARA_MOUSE30 92% 0.501 PF00105 C4_S167 - (0)20 6 / 13 / 11 14--
384PF00105_PPARA_RAT30 92% 0.494 PF00105 C2_S166 - (0)20 6 / 12 / 12 14--
385PF00105_PPARD_CANFA33 97% 0.492 PF00105 C2_S145 - (0)20 12 / 20 / 1 17--
386PF00105_PPARD_HUMAN33 100% 0.492 PF00105 C4_S145 - (0)20 12 / 20 / 1 17--
387PF00105_PPARG_CANFA61 100% 0.444 PF00105 C6_S183 - (0)20 5 / 27 / 33 33--
388PF00105_PPARG_HUMAN61 100% 0.444 PF00105 C3_S182 - (0)20 5 / 27 / 33 33--
389PF00105_PPARG_MOUSE61 98% 0.442 PF00105 C5_S182 - (0)20 5 / 27 / 33 33--
390PF00105_PPARG_RAT61 99% 0.441 PF00105 C6_S182 - (0)20 5 / 27 / 33 33--
391PF00105_PRGR_HUMAN35 100% 0.221 PF00105 C4_S167 - (0)20 6 / 31 / 4 19--
392PF00105_PRGR_PONPY35 100% 0.823 PF00105 C5_S168 - (0)20 6 / 31 / 4 19--
393PF00105_PRGR_RABIT35 99% 0.221 PF00105 C4_S172 - (0)20 6 / 32 / 5 19--
394PF00105_PRGR_RAT35 96% 0.229 PF00105 C4_S169 - (0)20 6 / 31 / 4 19--
395PF00105_RARA_HUMAN24 100% 0.273 PF00105 C2_S172 - (0)19 15 / 9 / 14 12--
396PF00105_RARA_MOUSE25 99% 0.272 PF00105 C2_S177 - (0)19 15 / 10 / 14 12--
397PF00105_RARB_HUMAN25 100% 0.276 PF00105 C2_S171 - (0)19 16 / 10 / 13 12--
398PF00105_RARB_MOUSE25 100% 0.262 PF00105 C2_S175 - (0)19 16 / 9 / 12 12--
399PF00105_RARG_HUMAN24 100% 0.444 PF00105 C3_S168 - (0)17 16 / 9 / 6 12--
400PF00105_RARG_MOUSE24 100% 0.441 PF00105 C2_S168 - (0)17 16 / 9 / 6 12--

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