Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50167355
Substrate
n/a
Meas. Tech.
ChEMBL_760549 (CHEMBL1815534)
Ki
2.6±n/a nM
Citation
 Carta, F; Garaj, V; Maresca, A; Wagner, J; Avvaru, BS; Robbins, AH; Scozzafava, A; McKenna, R; Supuran, CT Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. Bioorg Med Chem 19:3105-19 (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:
Human
Description:
Catalytic domain of human cloned isozyme was used in the assay
Residue:
354
Sequence:
MPRRSLHAAAVLLLVILKEQPSSPAPVNGSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQVQVCTAAGLSLGIILSLALAGILGICIVVVVSIWLFRRKSIKKGDNKGVIYKPATKMETEAHA
  
Inhibitor
Name:
BDBM50167355
Synonyms:
CHEMBL189526 | {4-Chloro-6-[2-(4-sulfamoyl-phenyl)-ethylamino]-[1,3,5]triazin-2-ylamino}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C13H15ClN6O4S
Mol. Mass.:
386.814
SMILES:
NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCC(O)=O)n2)cc1
Structure:
Search PDB for entries with ligand similarity: