Reaction Details |
| Report a problem with these data |
Target | Aldo-keto reductase family 1 member C1 |
---|
Ligand | BDBM50219490 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_498201 (CHEMBL980733) |
---|
Ki | 4±n/a nM |
---|
Citation | El-Kabbani, O; Scammells, PJ; Gosling, J; Dhagat, U; Endo, S; Matsunaga, T; Soda, M; Hara, A Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1). J Med Chem52:3259-64 (2009) [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
|
|
|
BDBM50219490 |
---|
n/a |
---|
Name | BDBM50219490 |
Synonyms: | 3-Bromo-5-phenylsalicylc acid | 5-bromo-4-hydroxybiphenyl-3-carboxylic acid | CHEMBL387536 |
Type | Small organic molecule |
Emp. Form. | C13H9BrO3 |
Mol. Mass. | 293.113 |
SMILES | OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 |
Structure |
|