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Target
Carbonic anhydrase 12
Ligand
BDBM50539859
Substrate
n/a
Meas. Tech.
ChEMBL_1979518 (CHEMBL4612653)
Ki
3.5±n/a nM
Citation
 Berrino, E; Angeli, A; Zhdanov, DD; Kiryukhina, AP; Milaneschi, A; De Luca, A; Bozdag, M; Carradori, S; Selleri, S; Bartolucci, G; Peat, TS; Ferraroni, M; Supuran, CT; Carta, F Azidothymidine "Clicked" into 1,2,3-Triazoles: First Report on Carbonic Anhydrase-Telomerase Dual-Hybrid Inhibitors. J Med Chem 63:7392-7409 (2020) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 12
Synonyms:
CA-XII | CA12 | CAH12_HUMAN | Carbonate dehydratase XII | Carbonic anhydrase | Carbonic anhydrase 12 (CA XII) | Carbonic anhydrase XII | Carbonic anhydrase XII (CA XII) | Carbonic anhydrase XII (CAXII) | Tumor antigen HOM-RCC-3.1.3
Type:
Enzyme
Mol. Mass.:
39456.00
Organism:
Homo sapiens (Human)
Description:
Catalytic domain of human cloned isozyme was used in the assay
Residue:
354
Sequence:
MPRRSLHAAAVLLLVILKEQPSSPAPVNGSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQVQVCTAAGLSLGIILSLALAGILGICIVVVVSIWLFRRKSIKKGDNKGVIYKPATKMETEAHA
  
Inhibitor
Name:
BDBM50539859
Synonyms:
CHEMBL4644661
Type:
Small organic molecule
Emp. Form.:
C22H21N5O7
Mol. Mass.:
467.4314
SMILES:
Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(COc3ccc4ccc(=O)oc4c3)nn2)c(=O)[nH]c1=O |r|
Structure:
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