Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM14736
Substrate
BDBM11326
Meas. Tech.
Esterase Assay
Ki
2.4±n/a nM
Citation
 Casey, JR; Morgan, PE; Vullo, D; Scozzafava, A; Mastrolorenzo, A; Supuran, CT Carbonic anhydrase inhibitors. Design of selective, membrane-impermeant inhibitors targeting the human tumor-associated isozyme IX. J Med Chem 47:2337-47 (2004) [PubMed]  Article 
Target
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:
MRLLLALLVLAAAPPQARAASHWCYQIQVKPSNYTCLEPDEWEGSCQNNRQSPVNIVTAKTQLDPNLGRFSFSGYNMKHQWVVQNNGHTVMVLLENKPSIAGGGLSTRYQATQLHLHWSRAMDRGSEHSFDGERFAMEMHIVHEKEKGLSGNASQNQFAEDEIAVLAFMVEDGSKNVNFQPLVEALSDIPRPNMNTTMKEGVSLFDLLPEEESLRHYFRYLGSLTTPTCDEKVVWTVFQKPIQLHRDQILAFSQKLFYDDQQKVNMTDNVRPVQSLGQRQVFRSGAPGLLLAQPLPTLLAPVLACLTVGFLR
  
Inhibitor
Name:
BDBM14736
Synonyms:
1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfonyl-4-phenyl)]-2,3,4,6-tetramethylpyridinium perchlorate | 2,3,4,6-tetramethyl-1-{4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-1-pyridin-1-ylium perchlorate | pyridinium-containing sulfonamide analog 14t
Type:
Small organic molecule
Emp. Form.:
C17H20N5O4S3
Mol. Mass.:
454.566
SMILES:
Cc1cc(C)[n+](c(C)c1C)-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM11326
Synonyms:
4-nitrophenyl acetate | p-Nitrophenyl Acetate
Type:
Small organic molecule
Emp. Form.:
C8H7NO4
Mol. Mass.:
181.1455
SMILES:
CC(=O)Oc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: