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Target
Carbonic anhydrase 12
Ligand
BDBM50456057
Substrate
n/a
Meas. Tech.
ChEMBL_1755077 (CHEMBL4189837)
Ki
7.5±n/a nM
Citation
 Akgul, O; Di Cesare Mannelli, L; Vullo, D; Angeli, A; Ghelardini, C; Bartolucci, G; Alfawaz Altamimi, AS; Scozzafava, A; Supuran, CT; Carta, F Discovery of Novel Nonsteroidal Anti-Inflammatory Drugs and Carbonic Anhydrase Inhibitors Hybrids (NSAIDs-CAIs) for the Management of Rheumatoid Arthritis. J Med Chem 61:4961-4977 (2018) [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:
BDBM50456057
Synonyms:
CHEMBL4218254
Type:
Small organic molecule
Emp. Form.:
C22H24N2O5S
Mol. Mass.:
428.501
SMILES:
COc1ccc2cc(ccc2c1)C(C)C(=O)NCCOc1ccc(cc1)S(N)(=O)=O
Structure:
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