Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase 4
LigandBDBM14726
Substrate/CompetitorBDBM11326
Meas. Tech.Esterase Assay
Ki 4.1±n/a nM
Citation Casey, JRMorgan, PEVullo, DScozzafava, AMastrolorenzo, ASupuran, CT Carbonic anhydrase inhibitors. Design of selective, membrane-impermeant inhibitors targeting the human tumor-associated isozyme IX. J Med Chem47:2337-47 (2004) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Carbonic anhydrase 4
Name:Carbonic anhydrase 4
Synonyms:CA-IV | CA4 | CAH4_BOVIN | Carbonate dehydratase IV | Carbonic Anhydrase IV | Carbonic anhydrase | Carbonic anhydrase 4
Type:Enzyme
Mol. Mass.:35152.74
Organism:Bos taurus (bovine)
Description:Bovine isozyme, isolated from lung microsomes
Residue:312
Sequence:
MRLLLALLVLAAAPPQARAASHWCYQIQVKPSNYTCLEPDEWEGSCQNNRQSPVNIVTAK
TQLDPNLGRFSFSGYNMKHQWVVQNNGHTVMVLLENKPSIAGGGLSTRYQATQLHLHWSR
AMDRGSEHSFDGERFAMEMHIVHEKEKGLSGNASQNQFAEDEIAVLAFMVEDGSKNVNFQ
PLVEALSDIPRPNMNTTMKEGVSLFDLLPEEESLRHYFRYLGSLTTPTCDEKVVWTVFQK
PIQLHRDQILAFSQKLFYDDQQKVNMTDNVRPVQSLGQRQVFRSGAPGLLLAQPLPTLLA
PVLACLTVGFLR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM14726
BDBM11326
NameBDBM14726
Synonyms:1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfonyl-4-phenyl)]-2,6-di-isopropyl-4-phenylpyridinium perchlorate | 4-phenyl-2,6-bis(propan-2-yl)-1-{4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-1-pyridin-1-ylium perchlorate | pyridinium-containing sulfonamide analog 14i
TypeSmall organic molecule
Emp. Form.C25H28N5O4S3
Mol. Mass.558.715
SMILESCC(C)c1cc(cc(C(C)C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: