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Target
Carbonic anhydrase 12
Ligand
BDBM50171018
Substrate
n/a
Meas. Tech.
ChEMBL_303378 (CHEMBL877449)
Ki
4.9±n/a nM
Citation
 Mincione, F; Starnotti, M; Masini, E; Bacciottini, L; Scrivanti, C; Casini, A; Vullo, D; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: design of thioureido sulfonamides with potent isozyme II and XII inhibitory properties and intraocular pressure lowering activity in a rabbit model of glaucoma. Bioorg Med Chem Lett 15:3821-7 (2005) [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:
BDBM50171018
Synonyms:
4-(2-{3-[2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phenyl)-ethyl]-thioureido}-ethyl)-benzenesulfonamide | CHEMBL178603
Type:
Small organic molecule
Emp. Form.:
C18H22N4O6S2
Mol. Mass.:
454.52
SMILES:
NS(=O)(=O)c1ccc(CC[N-]C(=[SH+])NC(CO)C(O)c2ccc(cc2)[N+]([O-])=O)cc1
Structure:
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