Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50235694
Substrate
n/a
Meas. Tech.
ChEMBL_1657658 (CHEMBL4007128)
Ki
3580±n/a nM
Citation
 Fares, M; Eladwy, RA; Nocentini, A; El Hadi, SRA; Ghabbour, HA; Abdel-Megeed, A; Eldehna, WM; Abdel-Aziz, HA; Supuran, CT Synthesis of bulky-tailed sulfonamides incorporating pyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-1(5H)-yl) moieties and evaluation of their carbonic anhydrases I, II, IV and IX inhibitory effects. Bioorg Med Chem 25:2210-2217 (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:
BDBM50235694
Synonyms:
CHEMBL4095288
Type:
Small organic molecule
Emp. Form.:
C28H18ClFN6O4S
Mol. Mass.:
588.997
SMILES:
CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Structure:
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