Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50087421
Substrate
n/a
Meas. Tech.
ChEMBL_90729 (CHEMBL701281)
IC50
5300±n/a nM
Citation
 Zouhiri, F; Mouscadet, JF; Mekouar, K; Desmaële, D; Savouré, D; Leh, H; Subra, F; Le Bret, M; Auclair, C; d'Angelo, J Structure-activity relationships and binding mode of styrylquinolines as potent inhibitors of HIV-1 integrase and replication of HIV-1 in cell culture. J Med Chem 43:1533-40 (2000) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50087421
Synonyms:
8-Hydroxy-2-((E)-styryl)-quinoline-7-carboxylic acid | 8-Hydroxy-2-styryl-quinoline-7-carboxylic acid | 8-hydroxy-2-styrylquinoline-7-carboxylic acid | CHEMBL40148
Type:
Small organic molecule
Emp. Form.:
C18H13NO3
Mol. Mass.:
291.3007
SMILES:
OC(=O)c1ccc2ccc(\C=C\c3ccccc3)nc2c1O
Structure:
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