Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM11641
Substrate
n/a
Meas. Tech.
ChEMBL_643926 (CHEMBL1211825)
Ki
60±n/a nM
Citation
 Avvaru, BS; Wagner, JM; Maresca, A; Scozzafava, A; Robbins, AH; Supuran, CT; McKenna, R Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors. Bioorg Med Chem Lett 20:4376-81 (2010) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 4
Synonyms:
CA-IV | CA4 | CAH4_HUMAN | Carbonate dehydratase IV | Carbonic anhydrase | Carbonic anhydrase 4 (CA IV) | Carbonic anhydrase IV (CA IV)
Type:
Enzyme
Mol. Mass.:
35037.98
Organism:
Homo sapiens (Human)
Description:
P22748
Residue:
312
Sequence:
MRMLLALLALSAARPSASAESHWCYEVQAESSNYPCLVPVKWGGNCQKDRQSPINIVTTKAKVDKKLGRFFFSGYDKKQTWTVQNNGHSVMMLLENKASISGGGLPAPYQAKQLHLHWSDLPYKGSEHSLDGEHFAMEMHIVHEKEKGTSRNVKEAQDPEDEIAVLAFLVEAGTQVNEGFQPLVEALSNIPKPEMSTTMAESSLLDLLPKEEKLRHYFRYLGSLTTPTCDEKVVWTVFREPIQLHREQILAFSQKLYYDKEQTVSMKDNVRPLQQLGQRTVIKSGAPGRPLPWALPALLGPMLACLLAGFLR
  
Inhibitor
Name:
BDBM11641
Synonyms:
1-N-(4-sulfamoylphenyl-ethyl)-2,4,6-trimethylpyridiniumperchlorate | 2,4,6-trimethyl-1-[2-(4-sulfamoylphenyl)ethyl]pyridin-1-ium perchlorate | CHEMBL352535 | Compound 10 | pyridinium deriv. 10
Type:
Small organic molecule
Emp. Form.:
C16H21N2O2S
Mol. Mass.:
305.415
SMILES:
Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
Structure:
Search PDB for entries with ligand similarity: