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)
150PF00105_RXRG_MOUSE32 95% 0.361 PF00105 C3_S141 - (0)20 14 / 14 / 4 14--
151PF02146_SIR2_HUMAN28 100% 0.600 PF02146 C1_S169 - (22)20 14 / 13 / 8 9--
152PF02146_SIR2_YEAST21 100% 0.415 PF02146 C2_S154 - (0)16 14 / 10 / 8 9--
153PF00067_CP3A1_RAT16 74% 0.522 PF00067 C4_S178 - (8)19 14 / 9 / 11 10--
154PF00067_CP3A6_RABIT14 76% 0.558 PF00067 C2_S179 - (10)15 14 / 9 / 6 8--
155PF00067_CP3A2_RAT14 73% 0.535 PF00067 C1_S177 - (8)17 14 / 8 / 10 8--
156PF00068_PA2GA_HUMAN33 100% 0.509 PF00068 C6_S146 - (0)20 14 / 7 / 8 12--
157PF00067_CP3A5_HUMAN15 84% 0.563 PF00067 C2_S174 - (8)17 14 / 4 / 12 8 1 -
158PF00067_CP343_HUMAN14 76% 0.546 PF00067 C2_S179 - (8)16 14 / 2 / 13 10--
159PF00069_MK14_HUMAN51 100% 0.777 PF00069 C1_S169 - (5)20 13 / 25 / 16 41 271 0.12
160PF01030_ERBB4_HUMAN56 100% 0.269 PF01030 C3_S161 - (13)20 13 / 23 / 19 24--
161PF00105_RXRG_RAT33 95% 0.359 PF00105 C4_S149 - (0)20 13 / 16 / 4 14--
162PF00105_RXRG_HUMAN32 95% 0.363 PF00105 C5_S149 - (0)20 13 / 15 / 4 13--
163PF00821_PCKGC_RAT25 100% 0.655 PF00821 C5_S150 - (39)16 13 / 7 / 16 12--
164PF00067_CP51A_RAT16 94% 0.511 PF00067 C4_S171 - (2)7 13 / 7 / 6 10--
165PF13288_DXR_MYCS221 77% 0.567 PF13288 C1_S133 - (16)16 13 / 3 / 16 8--
166PF00105_PPARD_CANFA33 97% 0.492 PF00105 C2_S145 - (0)20 12 / 20 / 1 17--
167PF00105_PPARD_HUMAN33 100% 0.492 PF00105 C4_S145 - (0)20 12 / 20 / 1 17--
168PF00106_DHB1_HUMAN29 100% 0.749 PF00106 C2_S161 - (55)13 12 / 16 / 13 9--
169PF00105_PPARA_CANFA30 97% 0.490 PF00105 C3_S166 - (0)20 12 / 8 / 11 15--
170PF00068_PA2GA_RAT34 72% 0.386 PF00068 C8_S146 - (0)20 12 / 8 / 9 11--
171PF00105_PPARA_HUMAN30 100% 0.496 PF00105 C5_S166 - (0)20 12 / 7 / 12 14--
172PF00069_MK09_MOUSE51 95% 0.399 PF00069 C1_S176 - (7)20 11 / 36 / 13 27--
173PF00012_HSP7C_BOVIN55 100% 0.613 PF00012 C1_S170 - (0)15 11 / 36 / 8 9 1 -
174PF00012_HSP7C_HUMAN55 100% 0.604 PF00012 C2_S171 - (55)15 11 / 36 / 8 9 1 -
175PF00012_HSP71_HUMAN53 100% 0.580 PF00012 C1_S169 - (0)12 11 / 36 / 5 7 9 0.60
176PF00105_GCR_RAT37 95% 0.197 PF00105 C2_S186 - (0)20 11 / 28 / 14 15--
177PF00069_MK11_MOUSE44 96% 0.498 PF00069 C1_S149 - (0)20 11 / 28 / 5 36--
178PF00105_GCR_HUMAN37 99% 0.197 PF00105 C3_S186 - (0)20 11 / 27 / 12 16--
179PF00105_GCR_MOUSE37 99% 0.208 PF00105 C4_S186 - (0)20 11 / 27 / 12 15--
180PF02569_PANC_MYCTU66 99% 0.862 PF02569 C7_S1134 - (97)20 11 / 24 / 23 19--
181PF13288_DXR_ECOLI22 100% 0.824 PF13288 C1_S135 - (16)11 11 / 3 / 21 9--
182PF00026_RENI_RAT13 82% 0.432 PF00026 C3_S135 - (0)10 11 / 3 / 3 8--
183PF02180_BCL2_HUMAN16 100% 0.332 PF02180 C1_S127 - (0)11 11 / 3 / 2 7--
184PF00089_THRB_RAT49 97% 0.369 PF00089 C5_S191 - (0)20 10 / 53 / 13 19--
185PF00641_MDM2_HUMAN64 100% 0.127 PF00641 C4_S179 - (0)20 10 / 48 / 4 17--
186PF00069_MK10_RAT37 99% 0.382 PF00069 C2_S150 - (7)20 10 / 16 / 10 26--
187PF00017_FER_HUMAN28 66% 0.255 PF00018 C2_S141 - (6)20 10 / 10 / 9 18 16 0.34
188PF01712_DNK_DROME32 100% 0.621 PF01712 C1_S165 - (49)20 10 / 8 / 18 12--
189PF07714_VGFR1_HUMAN17 100% 0.121 PF07686 C2_S119 - (0)17 10 / 6 / 1 16--
190PF01467_NADD_BACAA20 100% 0.644 PF01467 C1_S144 - (23)17 10 / 2 / 8 6--
191PF01266_OXDA_RAT10 81% 0.564 PF01266 C1_S168 - (36)6 10 / 1 / 8 6--
192PF01266_OXDA_MOUSE10 81% 0.567 PF01266 C1_S165 - (37)6 10 / 1 / 7 6--
193PF00069_KAPCA_MOUSE65 100% 0.823 PF00069 C1_S1129 - (38)20 9 / 46 / 55 27 15 -0.39
194PF00233_PDE10_RAT55 99% 0.186 PF00233 C3_S170 - (8)20 9 / 27 / 19 38--
195PF00233_PDE10_MOUSE55 96% 0.191 PF00233 C3_S170 - (8)20 9 / 27 / 19 37--
196PF00018_BLK_HUMAN30 74% 0.424 PF00018 C2_S139 - (4)20 9 / 18 / 4 23 49 0.04
197PF03098_PERL_HUMAN60 85% 0.396 PF03098 C1_S1110 - (0)20 9 / 16 / 44 17--
198PF00069_MK10_HUMAN37 100% 0.384 PF00069 C2_S150 - (7)20 9 / 16 / 10 26 137 0.35
199PF00551_PUR3_ECOLI24 100% 0.883 PF00551 C5_S144 - (12)20 9 / 10 / 11 9--
200PF07686_VGFR1_MOUSE16 92% 0.123 PF07686 C2_S118 - (0)16 9 / 7 / - 16--

<< Page / 21 >> - Show