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Target
Aldo-keto reductase family 1 member B10
Ligand
BDBM50327036
Substrate
n/a
Meas. Tech.
ChEMBL_798534 (CHEMBL1942331)
IC50
7900±n/a nM
Citation
 Soda, M; Hu, D; Endo, S; Takemura, M; Li, J; Wada, R; Ifuku, S; Zhao, HT; El-Kabbani, O; Ohta, S; Yamamura, K; Toyooka, N; Hara, A; Matsunaga, T Design, synthesis and evaluation of caffeic acid phenethyl ester-based inhibitors targeting a selectivity pocket in the active site of human aldo-keto reductase 1B10. Eur J Med Chem 48:321-9 (2012) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B10
Synonyms:
AK1BA_HUMAN | AKR1B10 | AKR1B11 | ARL-1 | ARP | Aldo-keto reductase family 1 member B10 | Aldo-keto reductase family 1 member B10 (AKR1B10) | Aldo-keto reductase family member 1B10 (AKR1B10) | Aldose reductase-like | Aldose reductase-related protein | SI reductase | Small intestine reductase | hARP
Type:
Protein
Mol. Mass.:
36024.67
Organism:
Homo sapiens (Human)
Description:
O60218. 1ZUA; 4JII; 4GQ0
Residue:
316
Sequence:
MATFVELSTKAKMPIVGLGTWKSPLGKVKEAVKVAIDAGYRHIDCAYVYQNEHEVGEAIQEKIQEKAVKREDLFIVSKLWPTFFERPLVRKAFEKTLKDLKLSYLDVYLIHWPQGFKSGDDLFPKDDKGNAIGGKATFLDAWEAMEELVDEGLVKALGVSNFSHFQIEKLLNKPGLKYKPVTNQVECHPYLTQEKLIQYCHSKGITVTAYSPLGSPDRPWAKPEDPSLLEDPKIKEIAAKHKKTAAQVLIRFHIQRNVIVIPKSVTPARIVENIQVFDFKLSDEEMATILSFNRNWRACNVLQSSHLEDYPFNAEY
  
Inhibitor
Name:
BDBM50327036
Synonyms:
(1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid | (1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid | (1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid | 3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid | 3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid | 5-O-caffeoylquinic acid | 5-caffeoyl quinic acid | CHEMBL284616 | Caffeoylquinic acid | Chlorogenic acid (CGA) | Chlorogenicacid | NSC-407296 | US11866416, Example 10 | chlorogenic acid
Type:
Small organic molecule
Emp. Form.:
C16H18O9
Mol. Mass.:
354.3087
SMILES:
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O |r|
Structure:
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