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Target
Integrase
Ligand
BDBM50499579
Substrate
n/a
Meas. Tech.
ChEMBL_1542108 (CHEMBL3744582)
IC50
2800±n/a nM
Citation
 Tandon, V; Urvashi, na; Yadav, P; Sur, S; Abbat, S; Tiwari, V; Hewer, R; Papathanasopoulos, MA; Raja, R; Banerjea, AC; Verma, AK; Kukreti, S; Bharatam, PV Design, Synthesis, and Biological Evaluation of 1,2-Dihydroisoquinolines as HIV-1 Integrase Inhibitors. ACS Med Chem Lett 6:1065-70 (2015) [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:
BDBM50499579
Synonyms:
CHEMBL3740311
Type:
Small organic molecule
Emp. Form.:
C26H21N3O4
Mol. Mass.:
439.4626
SMILES:
COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(cc1)C#N)[N+]([O-])=O |t:9|
Structure:
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