Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
SLC (Dec 2015)

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


Sort by entries

 [Nb of SA]
 [Best Ident]
 [Best Score]
 Main Code
 [Name]
 [Number]
 [Number]
 Distribution of CDocking pKd
 [Number]
100GTR14_HUMAN19 94% 0.402 PF00083 15 - (0)2 - / - / - 0
101GTR5_HUMAN17 54% 0.349 PF00083 15 - (0)? - / - / - 0
102S22AA_HUMAN3 36% 0.342 PF00083 15 - (0)? - / - / - 0
103GTR2_HUMAN18 52% 0.446 PF00083 C1_S115 - (0)1 - / - / 1 0
104GTR7_HUMAN19 43% 0.377 PF00083 15 - (0)? - / - / - 0
105UT2_HUMAN9 63% 0.480 PF03253 C2_S115 - (0)2 - / 1 / 2 1
106GTR3_HUMAN19 99% 0.444 PF00083 15 - (0)2 - / - / - 0
107SAMC_HUMAN7 29% 0.169 PF00153 15 - (0)? - / - / - 0
108S26A6_HUMAN10 36% 0.395 PF01867 14 - (0)? - / - / - 0
109GTR12_HUMAN17 37% 0.362 PF07690 14 - (0)? - / - / - 0
110NCKX6_HUMAN3 40% 0.289 PF00180 14 - (0)? - / - / - 0
111S22AV_HUMAN6 31% 0.201 PF00083 14 - (0)? - / - / - 0
112S22A5_HUMAN1 43% 0.213 PF07690 14 - (0)? - / - / - 0
113S39A1_HUMAN0 41% 0.371 PF02525 14 - (12)? - / - / - 0
114S29A1_HUMAN2 37% 0.306 PF07690 13 - (0)? - / - / - 0
115NTCP5_HUMAN4 28% 0.327 PF06965 13 - (0)? - / - / - 0
116S29A3_HUMAN0 36% 0.382 PF05053 13 - (0)? - / - / - 0
117SL9C1_HUMAN16 38% 0.397 PF00027 13 - (0)? - / - / - 0
118NCKX5_HUMAN3 42% 0.274 PF01699 13 - (0)? - / - / - 0
119GTR1_HUMAN20 99% 0.411 PF00083 C1_S113 - (0)2 - / - / 1 0
120CTR4_HUMAN7 32% 0.351 PF13520 13 - (5)? - / - / - 0
121GTR9_HUMAN16 38% 0.398 PF00083 C3_S113 - (0)2 - / - / 1 0
1224F2_HUMAN15 100% 0.613 PF00128 12 - (0)? - / - / - 0
123S22A3_HUMAN6 52% 0.248 PF00083 12 - (0)? - / - / - 0
124S22A8_HUMAN8 43% 0.333 PF00083 12 - (2)? - / - / - 0
125S22A2_HUMAN12 36% 0.286 PF00083 12 - (0)? - / - / - 0
126S39AD_HUMAN0 33% -0.002 PF00106 12 - (0)? - / - / - 0
127S22A9_HUMAN7 43% 0.319 PF00083 12 - (0)? - / - / - 0
128S2546_HUMAN6 50% 0.251 PF00153 12 - (0)? - / - / - 0
129MOT8_HUMAN9 24% 0.244 PF07690 12 - (0)? - / - / - 0
130CTR3_HUMAN4 31% 0.311 PF13520 12 - (0)? - / - / - 0
131S22A1_HUMAN4 27% 0.304 PF00083 12 - (0)? - / - / - 0
132S22AF_HUMAN6 50% 0.226 PF07690 12 - (0)? - / - / - 0
133S28A2_HUMAN10 38% 0.394 PF00584 12 - (0)? - / - / - 0
134GTR6_HUMAN15 35% 0.390 PF00083 12 - (0)? - / - / - 0
135S28A1_HUMAN10 43% 0.389 PF01568 12 - (0)? - / - / - 0
136GTR10_HUMAN18 33% 0.348 PF00083 C2_S112 - (0)? - / - / 1 0
137NCKX1_HUMAN7 39% 0.168 PF01699 12 - (0)? - / - / - 0
138S28A3_HUMAN10 40% 0.439 PF00584 12 - (0)? - / - / - 0
139S22AB_HUMAN5 43% 0.309 PF00083 12 - (0)? - / - / - 0
140NCKX4_HUMAN3 26% 0.183 PF01699 11 - (0)? - / - / - 0
141S22AG_HUMAN7 36% 0.252 PF00083 11 - (0)? - / - / - 0
142S22AH_HUMAN7 41% 0.243 PF00083 11 - (0)? - / - / - 0
143NTCP7_HUMAN1 45% 0.355 PF00005 11 - (0)? - / - / - 0
144S22A4_HUMAN3 43% 0.205 PF07690 11 - (0)? - / - / - 0
145NTCP_HUMAN5 40% 0.227 PF06965 11 - (0)? - / - / - 0
146S39A9_HUMAN0 42% 0.122 PF03453 11 - (0)? - / - / - 0
147P3_HUMAN5 29% 0.297 PF06965 11 - (0)? - / - / - 0
148S22AC_HUMAN6 35% 0.317 PF00083 10 - (0)? - / - / - 0
149SL9A8_HUMAN2 62% 0.351 PF00999 10 - (0)? - / - / - 0
150NCKX3_HUMAN3 30% 0.206 PF01699 10 - (0)? - / - / - 0

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