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Target
Carbonic anhydrase 12
Ligand
BDBM50555722
Substrate
n/a
Meas. Tech.
ChEMBL_2053447 (CHEMBL4708448)
Ki
0.263000±n/a nM
Citation
 Ceni, C; Catarzi, D; Varano, F; Ben, DD; Marucci, G; Buccioni, M; Volpini, R; Angeli, A; Nocentini, A; Gratteri, P; Supuran, CT; Colotta, V Discovery of first-in-class multi-target adenosine A Eur J Med Chem 201:0 (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:
BDBM50555722
Synonyms:
CHEMBL4793920
Type:
Small organic molecule
Emp. Form.:
C28H28N8O4S
Mol. Mass.:
572.638
SMILES:
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCNCCc2ccc(cc2)S(N)(=O)=O)cc1
Structure:
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