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Target
Integrase
Ligand
BDBM50449684
Substrate
n/a
Meas. Tech.
ChEMBL_1740442 (CHEMBL4156192)
IC50
1490±n/a nM
Citation
 Sun, L; Gao, P; Dong, G; Zhang, X; Cheng, X; Ding, X; Wang, X; Daelemans, D; De Clercq, E; Pannecouque, C; Menéndez-Arias, L; Zhan, P; Liu, X 5-Hydroxypyrido[2,3-b]pyrazin-6(5H)-one derivatives as novel dual inhibitors of HIV-1 reverse transcriptase-associated ribonuclease H and integrase. Eur J Med Chem 155:714-724 (2018) [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:
BDBM50449684
Synonyms:
CHEMBL4167946
Type:
Small organic molecule
Emp. Form.:
C19H14N6O4
Mol. Mass.:
390.3523
SMILES:
COC(=O)c1c(Nc2ccc(cc2)-c2cncnc2)c2nccnc2n(O)c1=O
Structure:
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