Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50344554
Substrate
n/a
Meas. Tech.
ChEMBL_748166 (CHEMBL1781845)
Ki
31±n/a nM
Citation
 Mincione, F; Benedini, F; Biondi, S; Cecchi, A; Temperini, C; Formicola, G; Pacileo, I; Scozzafava, A; Masini, E; Supuran, CT Synthesis and crystallographic analysis of new sulfonamides incorporating NO-donating moieties with potent antiglaucoma action. Bioorg Med Chem Lett 21:3216-21 (2011) [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:
BDBM50344554
Synonyms:
4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl)benzoate | 4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate | CHEMBL1738778
Type:
Small organic molecule
Emp. Form.:
C13H15N5O9S3
Mol. Mass.:
481.481
SMILES:
NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(c2)C(=O)OCCCCO[N+]([O-])=O)s1
Structure:
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