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Target
Carbonic anhydrase 4
Ligand
BDBM50317410
Substrate
n/a
Meas. Tech.
ChEMBL_631615 (CHEMBL1106609)
IC50
33.1±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:
BDBM50317410
Synonyms:
CHEMBL1099151 | N-(3-Aminopropyl)-5-(aminosulfonyl)-2-[(2,3,5,6-tetrafluorophenyl)thio]nicotinamide
Type:
Small organic molecule
Emp. Form.:
C16H16F4N4O3S2
Mol. Mass.:
452.447
SMILES:
NCCCCNC(=O)c1cc(cnc1Sc1c(F)c(F)cc(F)c1F)S(N)(=O)=O
Structure:
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