Reaction Details Report a problem with these data
Target
Carbonyl reductase [NADPH] 1
Ligand
BDBM50096619
Substrate
n/a
Meas. Tech.
ChEMBL_495288 (CHEMBL1004505)
Ki
600±n/a nM
Citation
 Zimmermann, TJ; Niesen, FH; Pilka, ES; Knapp, S; Oppermann, U; Maier, ME Discovery of a potent and selective inhibitor for human carbonyl reductase 1 from propionate scanning applied to the macrolide zearalenone. Bioorg Med Chem 17:530-6 (2009) [PubMed]  Article 
Target
Name:
Carbonyl reductase [NADPH] 1
Synonyms:
CBR | CBR1 | CBR1_HUMAN | CRN | SDR21C1
Type:
PROTEIN
Mol. Mass.:
30380.63
Organism:
Homo sapiens (Human)
Description:
ChEMBL_607770
Residue:
277
Sequence:
MSSGIHVALVTGGNKGIGLAIVRDLCRLFSGDVVLTARDVTRGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLDVLVNNAGIAFKVADPTPFHIQAEVTMKTNFFGTRDVCTELLPLIKPQGRVVNVSSIMSVRALKSCSPELQQKFRSETITEEELVGLMNKFVEDTKKGVHQKEGWPSSAYGVTKIGVTVLSRIHARKLSEQRKGDKILLNACCPGWVRTDMAGPKATKSPEEGAETPVYLALLPPDAEGPHGQFVSEKRVEQW
  
Inhibitor
Name:
BDBM50096619
Synonyms:
1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]chromen-6-one | 7-methoxy-5,11,12-trihydroxy-coumestan | CHEMBL97453 | Wedelolactone
Type:
Small organic molecule
Emp. Form.:
C16H10O7
Mol. Mass.:
314.2464
SMILES:
COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1
Structure:
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