Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase 12
LigandBDBM50387136
Substrate/Competitorn/a
Meas. Tech.ChEMBL_827865 (CHEMBL2051274)
Ki 46±n/a nM
Citation Winum, JYCarta, FWard, CMullen, PHarrison, DLangdon, SPCecchi, AScozzafava, AKunkler, ISupuran, CT Ureido-substituted sulfamates show potent carbonic anhydrase IX inhibitory and antiproliferative activities against breast cancer cell lines. Bioorg Med Chem Lett22:4681-5 (2012) [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:
BDBM50387136
n/a
NameBDBM50387136
Synonyms:4-ureidophenyl sulfamate ring derivative 3u | CHEMBL2047816
TypeSmall organic molecule
Emp. Form.C17H23N3O4S
Mol. Mass.365.447
SMILESNS(=O)(=O)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: