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Target
Cytochrome c oxidase subunit 2
Ligand
BDBM50462392
Substrate
n/a
Meas. Tech.
ChEMBL_1774825 (CHEMBL4231817)
IC50
>100000±n/a nM
Citation
 Pippione, AC; Carnovale, IM; Bonanni, D; Sini, M; Goyal, P; Marini, E; Pors, K; Adinolfi, S; Zonari, D; Festuccia, C; Wahlgren, WY; Friemann, R; Bagnati, R; Boschi, D; Oliaro-Bosso, S; Lolli, ML Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid. Eur J Med Chem 150:930-945 (2018) [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:
BDBM50462392
Synonyms:
CHEMBL4248154
Type:
Small organic molecule
Emp. Form.:
C18H12F6N4O3
Mol. Mass.:
446.3033
SMILES:
Oc1nnn(Cc2ccc(OC(F)(F)F)cc2)c1C(=O)Nc1cccc(c1)C(F)(F)F
Structure:
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