Reaction Details Report a problem with these data
Target
Cytochrome c oxidase subunit 2
Ligand
BDBM17636
Substrate
n/a
Meas. Tech.
ChEMBL_1718558 (CHEMBL4133558)
IC50
>100000±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
More Info.:
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:
BDBM17636
Synonyms:
2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid | Arlef | CHEMBL23588 | Flufenamic acid | Nichisedan | US20240002326, Compound Flufenamic acid | US9271961, Flufenamic Acid
Type:
Small organic molecule
Emp. Form.:
C14H10F3NO2
Mol. Mass.:
281.2299
SMILES:
OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F