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Target
Integrase
Ligand
BDBM50477998
Substrate
n/a
Meas. Tech.
ChEMBL_463501 (CHEMBL932796)
IC50
5.0±n/a nM
Citation
 Dayam, R; Al-Mawsawi, LQ; Zawahir, Z; Witvrouw, M; Debyser, Z; Neamati, N Quinolone 3-carboxylic acid pharmacophore: design of second generation HIV-1 integrase inhibitors. J Med Chem 51:1136-44 (2008) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50477998
Synonyms:
CHEMBL272420
Type:
Small organic molecule
Emp. Form.:
C20H17ClN6O3
Mol. Mass.:
424.84
SMILES:
COc1ccc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)cc1OCc1ccccc1Cl |c:9|
Structure:
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