Reaction Details Report a problem with these data
Target
Cytochrome c oxidase subunit 2
Ligand
BDBM50587911
Substrate
n/a
Meas. Tech.
ChEMBL_2185771 (CHEMBL5097853)
Ki
94600±n/a nM
Citation
 Neha, K; Wakode, S Contemporary advances of cyclic molecules proposed for inflammation. Eur J Med Chem 221:0 (2021) [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:
BDBM50587911
Synonyms:
CHEMBL5183049
Type:
Small organic molecule
Emp. Form.:
C31H27N5O2S
Mol. Mass.:
533.643
SMILES:
COc1ccc(cc1)-c1cc(-c2nnc(SC\C(=N\O)C(=C)\C=C/C)n2-c2ccccc2)c2ccccc2n1
Structure:
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