Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50494034
Substrate
n/a
Meas. Tech.
ChEMBL_989826 (CHEMBL2446502)
Kd
357±n/a nM
Citation
 Čapkauskaitė, E; Zubrienė, A; Smirnov, A; Torresan, J; Kišonaitė, M; Kazokaitė, J; Gylytė, J; Michailovienė, V; Jogaitė, V; Manakova, E; Gražulis, S; Tumkevičius, S; Matulis, D Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII. Bioorg Med Chem 21:6937-47 (2013) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 12
Synonyms:
CA-XII | Carbonate dehydratase XII | Tumor antigen HOM-RCC-3.1.3 | Carbonic anhydrase 12 (CA XII) | Carbonic anhydrase XII (CAXII) | Carbonic anhydrase XII (CA XII) | CAH12_HUMAN | CA12 | Carbonic anhydrase | Carbonic anhydrase XII
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:
BDBM50494034
Synonyms:
CHEMBL2443192
Type:
Small organic molecule
Emp. Form.:
C16H18ClN3O3S2
Mol. Mass.:
399.93
SMILES:
CCCCc1cnc(SCC(=O)c2ccc(c(Cl)c2)S(N)(=O)=O)nc1
Structure:
Search PDB for entries with ligand similarity: