Reaction Details |
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Target | Aldo-keto reductase family 1 member B10 |
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Ligand | BDBM50327036 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_798534 (CHEMBL1942331) |
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IC50 | 7900±n/a nM |
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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 Chem48:321-9 (2012) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Aldo-keto reductase family 1 member B10 |
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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: | MATFVELSTKAKMPIVGLGTWKSPLGKVKEAVKVAIDAGYRHIDCAYVYQNEHEVGEAIQ
EKIQEKAVKREDLFIVSKLWPTFFERPLVRKAFEKTLKDLKLSYLDVYLIHWPQGFKSGD
DLFPKDDKGNAIGGKATFLDAWEAMEELVDEGLVKALGVSNFSHFQIEKLLNKPGLKYKP
VTNQVECHPYLTQEKLIQYCHSKGITVTAYSPLGSPDRPWAKPEDPSLLEDPKIKEIAAK
HKKTAAQVLIRFHIQRNVIVIPKSVTPARIVENIQVFDFKLSDEEMATILSFNRNWRACN
VLQSSHLEDYPFNAEY
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BDBM50327036 |
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n/a |
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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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