Target
Cytochrome c oxidase subunit 2
Ligand
BDBM50277998
Substrate
n/a
Meas. Tech.
ChEMBL_1718558 (CHEMBL4133558)
IC50
>100000±n/a nM
Citation
 Pippione, ACGiraudo, ABonanni, DCarnovale, IMMarini, ECena, CCostale, AZonari, DPors, KSadiq, MBoschi, DOliaro-Bosso, SLolli, 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:
BDBM50277998
Synonyms:
CHEMBL4174786
Type:
Small organic molecule
Emp. Form.:
C18H15F3N4O3
Mol. Mass.:
392.3319
SMILES:
COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(c2)C(F)(F)F)cc1
Structure:
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