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Target
Carbonyl reductase [NADPH] 1
Ligand
BDBM50073099
Substrate
n/a
Meas. Tech.
ChEMBL_495288 (CHEMBL1004505)
IC50
3270±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:
BDBM50073099
Synonyms:
(9E,11E)-(4R,6R,8R)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione | (9E,11E)-(4R,6S,8S)-16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione | (9Z,11E)-(4R,6R,8R)-16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione | (9Z,11E)-(4R,6R,8R)-17,19-Dihydroxy-4-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione | (9Z,11E)-(4S,6R,8S)-16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione | (RA)/17-(allylamino)-17-demethoxygeldanamycin | (Z)-(R)-16-Chloro-17,19-dihydroxy-4-(R)-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione | 16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione | CHEMBL453386 | cid_16196977 | radicicol
Type:
Small organic molecule
Emp. Form.:
C18H17ClO6
Mol. Mass.:
364.777
SMILES:
C[C@H]1C[C@H]2O[C@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |w:7.8,9.10|
Structure:
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