Reaction Details |
| Report a problem with these data |
Target | Aldo-keto reductase family 1 member B1 |
---|
Ligand | BDBM16314 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_305137 (CHEMBL832432) |
---|
IC50 | 30±n/a nM |
---|
Citation | Ferrari, AM; Wei, BQ; Costantino, L; Shoichet, BK Soft docking and multiple receptor conformations in virtual screening. J Med Chem47:5076-84 (2004) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Aldo-keto reductase family 1 member B1 |
---|
Name: | Aldo-keto reductase family 1 member B1 |
Synonyms: | AKR1B1 | ALDR_PIG | ALR2 | AR | Aldose reductase |
Type: | PROTEIN |
Mol. Mass.: | 35865.31 |
Organism: | Sus scrofa |
Description: | ChEMBL_502637 |
Residue: | 316 |
Sequence: | MASHLVLYTGAKMPILGLGTWKSPPGKVTEAVKVAIDLGYRHIDCAHVYQNENEVGLGLQ
EKLQGQVVKREDLFIVSKLWCTDHEKNLVKGACQTTLRDLKLDYLDLYLIHWPTGFKPGK
DPFPLDGDGNVVPDESDFVETWEAMEELVDEGLVKAIGVSNFNHLQVEKILNKPGLKYKP
AVNQIEVHPYLTQEKLIEYCKSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAK
YNKTTAQVLIRFPMQRNLIVIPKSVTPERIAENFQVFDFELSPEDMNTLLSYNRNWRVCA
LMSCASHKDYPFHEEY
|
|
|
BDBM16314 |
---|
n/a |
---|
Name | BDBM16314 |
Synonyms: | 2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-N-methylmethanethioamido}acetic acid | Alredase | CHEMBL436 | N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine | Tolrestat |
Type | Small organic molecule |
Emp. Form. | C16H14F3NO3S |
Mol. Mass. | 357.347 |
SMILES | COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O |
Structure |
|