Reaction Details Report a problem with these data
Target
Cytochrome c oxidase subunit 2
Ligand
BDBM50598766
Substrate
n/a
Meas. Tech.
ChEMBL_2227920 (CHEMBL5141433)
IC50
930±n/a nM
Citation
 Li, J; Hu, X; Zhang, H; Peng, Y; Li, S; Xiong, Y; Jiang, W; Wang, Z -2-(Phenylamino) Benzamide Derivatives as Dual Inhibitors of COX-2 and Topo I Deter Gastrointestinal Cancers via Targeting Inflammation and Tumor Progression. J Med Chem 65:10481-10505 (2022) [PubMed] 
Target
Name:
Cytochrome c oxidase subunit 2
Synonyms:
COII | COX2 | COX2_HUMAN | COXII | MT-CO2 | MTCO2
Type:
PROTEIN
Mol. Mass.:
25555.66
Organism:
Homo sapiens (Human)
Description:
ChEMBL_530099
Residue:
227
Sequence:
MAHAAQVGLQDATSPIMEELITFHDHALMIIFLICFLVLYALFLTLTTKLTNTNISDAQEMETVWTILPAIILVLIALPSLRILYMTDEVNDPSLTIKSIGHQWYWTYEYTDYGGLIFNSYMLPPLFLEPGDLRLLDVDNRVVLPIEAPIRMMITSQDVLHSWAVPTLGLKTDAIPGRLNQTTFTATRPGVYYGQCSEICGANHSFMPIVLELIPLKIFEMGPVFTL
  
Inhibitor
Name:
BDBM50598766
Synonyms:
CHEMBL5170447
Type:
Small organic molecule
Emp. Form.:
C21H17ClF2N2O2
Mol. Mass.:
402.822
SMILES:
Cc1c(Cl)cccc1Nc1ccc(F)cc1C(=O)NCc1ccc(O)c(F)c1
Structure:
Search PDB for entries with ligand similarity: