| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Aldo-keto reductase family 1 member B1 |
|---|
| Ligand | BDBM16239 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | SPR Assay |
|---|
| pH | 8.5±n/a |
|---|
| Kd | 14±0.0 nM |
|---|
| Comments | extracted |
|---|
| Citation |  Rechlin, C; Scheer, F; Terwesten, F; Wulsdorf, T; Pol, E; Fridh, V; Toth, P; Diederich, WE; Heine, A; Klebe, G Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis. ACS Chem Biol12:1397-1415 (2017) [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 | ALDR1 | ALDR_HUMAN | ALR2 | AR | Aldo-keto reductase family 1 member B1 (AKR1B1) | Aldose Reductase (ALR2) | Aldose reductase | Aldose reductase (AR) |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 35855.50 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0 |
|---|
| Residue: | 316 |
|---|
| Sequence: | MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQ
EKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGK
EFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKP
AVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAK
HNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCA
LLSCTSHKDYPFHEEF
|
|
|
|---|
| BDBM16239 |
|---|
| n/a |
|---|
| Name | BDBM16239 |
|---|
| Synonyms: | 2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}phenoxy)acetic acid | CHEMBL241577 | IDD 393 | IDD393 (3) | {5-chloro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C16H13ClN2O6 |
|---|
| Mol. Mass. | 364.737 |
|---|
| SMILES | OC(=O)COc1cc(Cl)ccc1C(=O)NCc1cccc(c1)[N+]([O-])=O |
|---|
| Structure | 
|
|---|
Search and Browse
