Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase 12
LigandBDBM50520833
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1882316 (CHEMBL4383815)
Ki 8.5±n/a nM
Citation Eldehna, WMAbo-Ashour, MFNocentini, AEl-Haggar, RSBua, SBonardi, AAl-Rashood, STHassan, GSGratteri, PAbdel-Aziz, HASupuran, CT Enhancement of the tail hydrophobic interactions within the carbonic anhydrase IX active site via structural extension: Design and synthesis of novel N-substituted isatins-SLC-0111 hybrids as carbonic anhydrase inhibitors and antitumor agents. Eur J Med Chem162:147-160 (2019) [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:
BDBM50520833
n/a
NameBDBM50520833
Synonyms:CHEMBL4569077
TypeSmall organic molecule
Emp. Form.C29H22N6O4S
Mol. Mass.550.588
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)N(Cc3ccc(cc3)C#N)c3ccccc23)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: