Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50065786
Substrate
n/a
Meas. Tech.
ChEMBL_90696 (CHEMBL702097)
IC50
3000±n/a nM
Citation
 Mekouar, K; Mouscadet, JF; Desmaële, D; Subra, F; Leh, H; Savouré, D; Auclair, C; d'Angelo, J Styrylquinoline derivatives: a new class of potent HIV-1 integrase inhibitors that block HIV-1 replication in CEM cells. J Med Chem 41:2846-57 (1998) [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:
BDBM50065786
Synonyms:
2-[(E)-2-(3,4-Dihydroxy-phenyl)-vinyl]-8-hydroxy-quinoline-7-carbonitrile | 2-[2-(3,4-Dihydroxy-phenyl)-vinyl]-8-hydroxy-quinoline-7-carbonitrile | CHEMBL59446
Type:
Small organic molecule
Emp. Form.:
C18H12N2O3
Mol. Mass.:
304.2995
SMILES:
Oc1ccc(\C=C\c2ccc3ccc(C#N)c(O)c3n2)cc1O
Structure:
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