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Target
Integrase
Ligand
BDBM50021581
Substrate
n/a
Meas. Tech.
ChEMBL_878295 (CHEMBL2185500)
IC50
300±n/a nM
Citation
 Zeng, LF; Wang, Y; Kazemi, R; Xu, S; Xu, ZL; Sanchez, TW; Yang, LM; Debnath, B; Odde, S; Xie, H; Zheng, YT; Ding, J; Neamati, N; Long, YQ Repositioning HIV-1 integrase inhibitors for cancer therapeutics: 1,6-naphthyridine-7-carboxamide as a promising scaffold with drug-like properties. J Med Chem 55:9492-509 (2012) [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:
BDBM50021581
Synonyms:
CHEMBL414850 | L-870810
Type:
Small organic molecule
Emp. Form.:
C20H19FN4O4S
Mol. Mass.:
430.453
SMILES:
O\C(=N/Cc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
Structure:
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