Receptor
PDB id Resolution Class Description Source Keywords
4fa3 2.2 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENA IN COMPLEX WITH (R)-1-(NAPHTHALEN-2-YLSULFONYL)PIPERIDINE-3C ARBOXYLIC ACID (86) HOMO SAPIENS TIM-BARREL ALDO-KETO REDUCTASE OXIDOREDUCTASE-OXIDOREDUCTAINHIBITOR COMPLEX
Ref.: 3-(3,4-DIHYDROISOQUINOLIN-2(1H)-YLSULFONYL)BENZOIC NEW CLASS OF HIGHLY POTENT AND SELECTIVE INHIBITORS TYPE 5 17-BETA-HYDROXYSTEROID DEHYDROGENASE AKR1C3 J.MED.CHEM. V. 55 7746 2012
Ligand Information
Ligand Validity Binding Data Ligand Warnings Chemaxon Viewer Molecular Weight (Da) Formula SMILES
EDO Invalid - none 62.068
C2 H6 O2
C(CO)O
ACT Invalid - none 59.044
C2 H3 O2
CC(=O)[O-]
NAP Valid submit data none 743.405
C21 H28 N7 O17 P3
c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
0SL Valid ic50 = 0.032 uM none 319.375
C16 H17 N O4 S
c1ccc2cc(ccc2c1)S(=O)(=O)N3CCC[C@H](C3)C(=O)O
90% Homology Family

The Class containing this family consists of a total of 162 families.

Leader:    1ZQ5     CRYSTAL STRUCTURE OF HUMAN ANDROGENIC 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 5 IN COMPLEXED WITH A POTENT INHIBITOR E M1404
No: PDB id Binding Data Representative ligand
1 1XF0 - ASD
2 1S1R - NAP
3 4FAM ic50 = 0.013 uM 0SZ
4 4FAL ic50 = 0.05 uM 0T0
5 4DBS ic50 = 0.08 uM 0HV
6 4FA3 ic50 = 0.032 uM 0SL
7 1RY0 - NAP
8 2F38 ic50 = 6 uM 15M
9 1RY8 - NDP
10 1ZQ5 Ki = 6.9 nM E04
11 1S2C Ki ~ 0.14 uM FLF
12 2FGB - NAP
13 1S1P - NAP
More Information
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