Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase 12
LigandBDBM50495114
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1283435 (CHEMBL3107029)
Ki 6.1±n/a nM
Citation ?o?nowska, BS?awi?ski, JPogorzelska, AChojnacki, JVullo, DSupuran, CT Carbonic anhydrase inhibitors. Synthesis, and molecular structure of novel series N-substituted N'-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)guanidines and their inhibition of human cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII. Eur J Med Chem71:135-47 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase 12
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:
MPRRSLHAAAVLLLVILKEQPSSPAPVNGSKWTYFGPDGENSWSKKYPSCGGLLQSPIDL
HSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHL
HWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFN
PSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFR
NPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQVQVCTAAGL
SLGIILSLALAGILGICIVVVVSIWLFRRKSIKKGDNKGVIYKPATKMETEAHA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50495114
n/a
NameBDBM50495114
Synonyms:CHEMBL3104367
TypeSmall organic molecule
Emp. Form.C21H22ClN5O4S3
Mol. Mass.540.078
SMILESCc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)NNc1ccc(cc1)S(N)(=O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: