Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50230204
Substrate
n/a
Meas. Tech.
ChEMBL_1644697 (CHEMBL3993626)
Ki
2.6±n/a nM
Citation
 Bua, S; Di Cesare Mannelli, L; Vullo, D; Ghelardini, C; Bartolucci, G; Scozzafava, A; Supuran, CT; Carta, F Design and Synthesis of Novel Nonsteroidal Anti-Inflammatory Drugs and Carbonic Anhydrase Inhibitors Hybrids (NSAIDs-CAIs) for the Treatment of Rheumatoid Arthritis. J Med Chem 60:1159-1170 (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:
BDBM50230204
Synonyms:
CHEMBL4079507
Type:
Small organic molecule
Emp. Form.:
C30H25ClN2O6
Mol. Mass.:
544.982
SMILES:
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCOc3ccc4oc(=O)ccc4c3)c2c1
Structure:
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