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Target
Integrase
Ligand
BDBM50187772
Substrate
n/a
Meas. Tech.
ChEMBL_378127 (CHEMBL869776)
IC50
850±n/a nM
Citation
 Metobo, SE; Jin, H; Tsiang, M; Kim, CU Design, synthesis, and biological evaluation of novel tricyclic HIV-1 integrase inhibitors by modification of its pyridine ring. Bioorg Med Chem Lett 16:3985-8 (2006) [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:
BDBM50187772
Synonyms:
7-(4-fluoro-benzyl)-5-hydroxy-9-methoxy-1,2,3,4,7,8-hexahydro-pyrrolo[3,4-g]quinoxalin-6-one | CHEMBL380034
Type:
Small organic molecule
Emp. Form.:
C18H18FN3O3
Mol. Mass.:
343.3522
SMILES:
COc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2NCCNc12
Structure:
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