Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50209288
Substrate
n/a
Meas. Tech.
ChEMBL_1633809 (CHEMBL3876601)
Ki
0.640000±n/a nM
Citation
 Angapelly, S; Ramya, PV; Angeli, A; Monti, SM; Buonanno, M; Alvala, M; Supuran, CT; Arifuddin, M Discovery of 4-sulfamoyl-phenyl-ß-lactams as a new class of potent carbonic anhydrase isoforms I, II, IV and VII inhibitors: The first example of subnanomolar CA IV inhibitors. Bioorg Med Chem 25:539-544 (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:
BDBM50209288
Synonyms:
CHEMBL3885451
Type:
Small organic molecule
Emp. Form.:
C24H24N2O6S
Mol. Mass.:
468.522
SMILES:
COc1cc(cc(OC)c1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: