Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50211594
Substrate
n/a
Meas. Tech.
ChEMBL_1636649 (CHEMBL3879547)
Ki
198±n/a nM
Citation
 Altug, C; Günes, H; Nocentini, A; Monti, SM; Buonanno, M; Supuran, CT Synthesis of isoxazole-containing sulfonamides with potent carbonic anhydrase II and VII inhibitory properties. Bioorg Med Chem 25:1456-1464 (2017) [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:
BDBM50211594
Synonyms:
CHEMBL3927339
Type:
Small organic molecule
Emp. Form.:
C23H15Cl3N4O5S
Mol. Mass.:
565.813
SMILES:
NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(Cl)cc3)onc2-c2c(Cl)cccc2Cl)cc1 |(15.83,-4.94,;14.49,-5.71,;12.94,-5.71,;13.71,-4.37,;14.49,-7.25,;15.82,-8.01,;15.83,-9.55,;14.5,-10.32,;14.5,-11.86,;15.83,-12.62,;17.16,-11.85,;15.84,-14.15,;14.6,-15.06,;13.14,-14.59,;11.99,-15.63,;12.32,-17.15,;10.52,-15.17,;10.19,-13.65,;8.72,-13.19,;7.57,-14.23,;6.1,-13.76,;7.91,-15.75,;9.39,-16.21,;15.08,-16.51,;16.62,-16.51,;17.08,-15.04,;18.62,-15.04,;19.38,-13.71,;18.6,-12.37,;20.92,-13.7,;21.7,-15.04,;20.94,-16.38,;19.39,-16.38,;18.62,-17.72,;13.17,-9.55,;13.17,-8.02,)|
Structure:
Search PDB for entries with ligand similarity: