Reaction Details
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3-oxo-5-alpha-steroid 4-dehydrogenase 2
Ligand
BDBM50488086
Substrate
n/a
Meas. Tech.
ChEMBL_922089 (CHEMBL3078155)
IC50
0.040000±n/a nM
Citation
TBA Med Chem Res 22:105-114 (2013) Article More Info.:
Target
Name:
3-oxo-5-alpha-steroid 4-dehydrogenase 2
Synonyms:
3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 5 alpha-SR2 | 5α-Reductase 2 (5α-R2) | S5A2_HUMAN | SR type 2 | SRD5A2 | Steroid 5-alpha-reductase | Steroid 5-alpha-reductase 2 | Type II 5-alpha reductase
Type:
Enzyme
Mol. Mass.:
28406.59
Organism:
Homo sapiens (Human)
Description:
P31213
Residue:
254
Sequence:
MQVQCQQSPVLAGSATLVALGALALYVAKPSGYGKHTESLKPAATRLPARAAWFLQELPSFAVPAGILARQPLSLFGPPGTVLLGLFCLHYFHRTFVYSLLNRGRPYPAILILRGTAFCTGNGVLQGYYLIYCAEYPDGWYTDIRFSLGVFLFILGMGINIHSDYILRQLRKPGEISYRIPQGGLFTYVSGANFLGEIIEWIGYALATWSLPALAFAFFSLCFLGLRAFHHHRFYLKMFEDYPKSRKALIPFIF
Inhibitor
Name:
BDBM50488086
Synonyms:
CHEMBL2282783
Type:
Small organic molecule
Emp. Form.:
C29H41NO3
Mol. Mass.:
451.6407
SMILES:
C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)OC1C2CC3CC(C2)CC1C3 |r,wU:4.3,16.19,1.0,19.23,14.16,wD:5.5,t:8,TLB:32:31:29:25.26.27,22:23:29:25.26.27,THB:32:26:23.31.30:29,27:26:23:30.28.29,27:28:23:25.32.26,22:23:25.32.26:30.28.29,(20.54,-3.16,;20.55,-4.7,;19.22,-3.92,;17.87,-4.68,;17.87,-6.22,;19.2,-7.01,;19.2,-8.54,;17.87,-9.3,;16.54,-8.54,;15.21,-9.3,;13.88,-8.54,;12.55,-9.31,;13.88,-7,;15.21,-6.22,;16.54,-7,;16.53,-5.46,;20.54,-6.25,;22,-6.74,;22.93,-5.5,;22.03,-4.23,;22.52,-2.77,;21.5,-1.62,;24.03,-2.47,;24.5,-1,;26.25,-1.06,;26.76,-2.38,;27.94,-3.2,;29.1,-2.2,;28.61,-.77,;27.36,-.08,;27,-.81,;25.81,-1.86,;26.31,-3.28,)|
Structure:
