Reaction Details |
| Report a problem with these data |
Target | Aldo-keto reductase family 1 member C1 |
---|
Ligand | BDBM50385687 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_823520 (CHEMBL2045963) |
---|
IC50 | 4230±n/a nM |
---|
Citation | Adeniji, AO; Twenter, BM; Byrns, MC; Jin, Y; Chen, M; Winkler, JD; Penning, TM Development of potent and selective inhibitors of aldo-keto reductase 1C3 (type 5 17ß-hydroxysteroid dehydrogenase) based on N-phenyl-aminobenzoates and their structure-activity relationships. J Med Chem55:2311-23 (2012) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Aldo-keto reductase family 1 member C1 |
---|
Name: | Aldo-keto reductase family 1 member C1 |
Synonyms: | 20-alpha-HSD | 20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) | AK1C1_HUMAN | AKR1C1 | Aldo-keto reductase family 1 member C1 (AK1C1) | Aldo-keto reductase family 1 member C1 (AK1C1a) | Aldo-keto reductase family 1 member C1 (AKR1C1) | Chlordecone reductase homolog HAKRC | DDH | DDH1 | High-affinity hepatic bile acid-binding protein | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase |
Type: | Enzyme |
Mol. Mass.: | 36793.97 |
Organism: | Homo sapiens (Human) |
Description: | Recombinant AKR1C1 enzyme was expressed in E. coli. |
Residue: | 323 |
Sequence: | MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPV
SVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLN
RNVRYLTLDIFAGPPNYPFSDEY
|
|
|
BDBM50385687 |
---|
n/a |
---|
Name | BDBM50385687 |
Synonyms: | CHEMBL2041555 |
Type | Small organic molecule |
Emp. Form. | C14H9F3N2O4 |
Mol. Mass. | 326.2275 |
SMILES | OC(=O)c1cccc(Nc2ccc(cc2[N+]([O-])=O)C(F)(F)F)c1 |
Structure |
|