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Target
Cytochrome c oxidase subunit 2
Ligand
BDBM22369
Substrate
n/a
Meas. Tech.
ChEMBL_1718558 (CHEMBL4133558)
IC50
3000±n/a nM
Citation
 Pippione, AC; Giraudo, A; Bonanni, D; Carnovale, IM; Marini, E; Cena, C; Costale, A; Zonari, D; Pors, K; Sadiq, M; Boschi, D; Oliaro-Bosso, S; Lolli, ML Hydroxytriazole derivatives as potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors discovered by bioisosteric scaffold hopping approach. Eur J Med Chem 139:936-946 (2017) [PubMed]  Article 
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:
BDBM22369
Synonyms:
4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one | CHEMBL122 | MK 0966 | Rofecoxib | US11478464, Compound Rofecoxib | US11786535, Compound Rofecoxib
Type:
Small organic molecule
Emp. Form.:
C17H14O4S
Mol. Mass.:
314.356
SMILES:
CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Structure:
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