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)
400PF07714_FLT3_HUMAN15 87% 0.158 PF07714 C2_S116 - (0)15 5 / 7 / 3 14--
401PF00069_MAST1_HUMAN13 61% 0.106 PF00069 C1_S129 - (5)14 - / 5 / 11 14 8 0.34
402PF00102_PTN2_HUMAN17 100% 0.351 PF00102 C1_S121 - (0)16 - / 13 / 4 14--
403PF00069_BMPR2_HUMAN12 43% 0.157 PF08515 C1_S137 - (2)19 2 / 11 / 7 14 15 0.21
404PF00069_MP2K6_HUMAN18 100% 0.396 PF00069 C1_S151 - (22)20 3 / 24 / 6 14 10 -0.11
405PF01048_PUNA_MYCTU30 100% 0.859 PF01048 C7_S144 - (27)20 - / 6 / 26 14--
406PF00069_KC1A_HUMAN34 76% 0.459 PF00069 C1_S153 - (5)20 - / 31 / 6 14 14 0.49
407PF00557_MAP11_HUMAN19 100% 0.447 PF00557 C1_S127 - (1)19 - / 9 / 8 14--
408PF00433_KPCG_RAT22 75% 0.356 PF00433 C1_S148 - (12)20 - / 22 / 12 14--
409PF00433_KPCG_HUMAN22 75% 0.363 PF00433 C1_S148 - (12)20 - / 22 / 12 14--
410PF02375_KDM4C_HUMAN49 100% 0.190 PF02375 C7_S186 - (0)20 7 / 8 / 49 14--
411PF00433_KPCD_MOUSE22 71% 0.274 PF00433 C2_S148 - (11)20 - / 23 / 8 14--
412PF00248_AK1CL_MOUSE46 100% 0.627 PF00248 C7_S1102 - (78)20 40 / 7 / 19 14--
413PF00433_KPCA_RAT23 99% 0.374 PF00433 C1_S151 - (13)20 - / 23 / 11 14--
414PF00194_CAH7_HUMAN24 100% 0.527 PF00194 C1_S137 - (3)20 - / - / 19 14--
415PF00069_STK3_HUMAN20 99% 0.334 PF00069 C1_S137 - (11)20 2 / 12 / 6 14 25 0.24
416PF00105_RXRG_RAT33 95% 0.359 PF00105 C4_S149 - (0)20 13 / 16 / 4 14--
417PF00069_CDK17_HUMAN22 81% 0.301 PF00069 C1_S132 - (9)20 1 / 10 / 10 14 18 -0.45
418PF00105_NR1H4_MOUSE35 98% 0.327 PF00105 C3_S158 - (0)20 30 / 3 / - 14--
419PF00069_STK3_MOUSE20 98% 0.334 PF00069 C2_S138 - (11)20 2 / 12 / 7 14 5 0.57
420PF00069_DAPK1_HUMAN37 100% 0.113 PF00069 C2_S141 - (25)20 1 / 8 / 26 14 9 0.05
421PF07714_VGFR3_HUMAN14 69% 0.114 PF07686 C2_S116 - (0)14 8 / 6 / - 14--
422PF00809_DHPS_ECOL619 100% 0.886 PF00809 C1_S125 - (14)20 - / 4 / 21 14--
423PF00069_CDK19_HUMAN23 91% 0.369 PF00069 C1_S154 - (8)20 3 / 7 / 14 14 16 0.23
424PF00068_PA21B_RAT48 80% 0.451 PF00068 C8_S194 - (0)20 - / 8 / 30 14--
425PF00069_KC1A_RAT34 76% 0.482 PF00069 C1_S151 - (5)20 - / 32 / 6 14--
426PF00069_CDK1_HUMAN23 66% 0.533 PF00069 C1_S141 - (7)20 1 / 4 / 20 13 80 -0.29
427PF00659_PLK1_HUMAN16 100% 0.264 PF00659 C1_S142 - (6)17 5 / 10 / 5 13--
428PF00069_CDKL2_HUMAN23 99% 0.339 PF00069 C1_S149 - (8)20 1 / 11 / 14 13 9 -0.03
429PF00106_DHI1_HUMAN61 100% 0.477 PF00106 C1_S1141 - (84)8 63 / 30 / 8 13--
430PF07714_TIE1_MOUSE13 81% 0.136 PF07714 C1_S115 - (2)13 2 / 5 / 6 13--
431PF07714_NTRK2_HUMAN15 100% 0.188 PF07714 C1_S116 - (0)14 5 / 9 / 1 13--
432PF00232_GBA3_HUMAN24 100% 0.559 PF00232 C2_S158 - (32)20 - / 3 / 22 13--
433PF08515_BMR1B_HUMAN16 100% 0.310 PF08515 C1_S119 - (0)17 1 / 14 / 1 13--
434PF00061_FABPH_HUMAN22 100% 0.618 PF00061 C2_S129 - (0)18 - / 3 / 21 13 12 0.15
435PF07714_DDR2_HUMAN13 67% 0.202 PF07714 C2_S113 - (0)13 3 / 8 / 2 13--
436PF00089_THRB_BOVIN45 100% 0.371 PF00089 C4_S187 - (0)20 14 / 40 / 13 13--
437PF08515_ACVL1_MOUSE21 96% 0.313 PF08515 C1_S125 - (0)20 2 / 17 / 3 13--
438PF08515_TGFR1_HUMAN16 100% 0.350 PF08515 C1_S121 - (0)19 1 / 12 / 3 13--
439PF00069_MST4_HUMAN16 100% 0.365 PF00069 C1_S136 - (11)19 - / 9 / 9 13 13 0.63
440PF00069_MAPK3_HUMAN18 100% 0.389 PF00069 C1_S134 - (6)19 - / 15 / 6 13--
441PF00067_CP2CB_RAT20 75% 0.443 PF00067 C3_S170 - (13)10 21 / 2 / 13 13--
442PF00069_KC1AL_HUMAN24 72% 0.444 PF00069 C1_S144 - (5)19 - / 22 / 6 13 11 -0.03
443PF00194_CAH3_BOVIN22 85% 0.490 PF00194 C1_S137 - (3)20 - / - / 17 13--
444PF08515_ACVL1_HUMAN20 99% 0.320 PF08515 C2_S123 - (0)19 2 / 17 / 2 13--
445PF08515_BMR1A_HUMAN16 85% 0.318 PF08515 C2_S119 - (0)17 1 / 15 / - 13--
446PF07714_KIT_HUMAN14 96% 0.168 PF07714 C1_S115 - (0)14 6 / 7 / - 13--
447PF00144_AMPC_PSEAE17 100% 0.514 PF00144 C1_S132 - (1)17 - / - / 14 13--
448PF08515_BMR1A_MOUSE16 85% 0.321 PF08515 C2_S119 - (0)17 1 / 15 / - 13--
449PF00194_CAH3_HUMAN22 98% 0.793 PF00194 C1_S136 - (3)20 - / - / 19 13--
450PF08515_ACVR1_MOUSE21 99% 0.274 PF08515 C1_S125 - (0)17 1 / 20 / 1 13--

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