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Target
Carbonic anhydrase 4
Ligand
BDBM50317405
Substrate
n/a
Meas. Tech.
ChEMBL_631615 (CHEMBL1106609)
IC50
46.8±n/a nM
Citation
 Vernier, W; Chong, W; Rewolinski, D; Greasley, S; Pauly, T; Shaw, M; Dinh, D; Ferre, RA; Meador, JW; Nukui, S; Ornelas, M; Paz, RL; Reyner, E Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation. Bioorg Med Chem 18:3307-19 (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:
BDBM50317405
Synonyms:
5-(Aminosulfonyl)-2-[(3,4-difluorophenyl)thio]-N-(4-methoxybenzyl)nicotinamide | CHEMBL1095203
Type:
Small organic molecule
Emp. Form.:
C20H17F2N3O4S2
Mol. Mass.:
465.493
SMILES:
COc1ccc(CNC(=O)c2cc(cnc2Sc2ccc(F)c(F)c2)S(N)(=O)=O)cc1
Structure:
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