Reaction Details |
| Report a problem with these data |
Target | Aldo-keto reductase family 1 member C1 |
---|
Ligand | BDBM50466718 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1793839 (CHEMBL4265758) |
---|
IC50 | 2520±n/a nM |
---|
Citation | Zheng, X; Jiang, Z; Li, X; Zhang, C; Li, Z; Wu, Y; Wang, X; Zhang, C; Luo, HB; Xu, J; Wu, D Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg Med Chem26:5934-5943 (2018) [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
|
|
|
BDBM50466718 |
---|
n/a |
---|
Name | BDBM50466718 |
Synonyms: | CHEMBL4288500 |
Type | Small organic molecule |
Emp. Form. | C22H20N6O5 |
Mol. Mass. | 448.4314 |
SMILES | CCCc1nn(c2OC(N)=C(C#N)C(c12)c1cc(OC)c(O)c(c1)[N+]([O-])=O)-c1ccccn1 |t:9| |
Structure |
|