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Target
Integrase
Ligand
BDBM50273953
Substrate
n/a
Meas. Tech.
ChEMBL_1713599 (CHEMBL4123648)
IC50
10.0±n/a nM
Citation
 Naidu, BN; Walker, MA; Sorenson, ME; Ueda, Y; Matiskella, JD; Connolly, TP; Dicker, IB; Lin, Z; Bollini, S; Terry, BJ; Higley, H; Zheng, M; Parker, DD; Wu, D; Adams, S; Krystal, MR; Meanwell, NA The discovery and preclinical evaluation of BMS-707035, a potent HIV-1 integrase strand transfer inhibitor. Bioorg Med Chem Lett 28:2124-2130 (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:
BDBM50273953
Synonyms:
CHEMBL4126840
Type:
Small organic molecule
Emp. Form.:
C19H22F2N4O6S
Mol. Mass.:
472.463
SMILES:
CN(C)S(=O)(=O)c1c(CNC(=O)c2nc3n(CCOC3(C)C)c(=O)c2O)ccc(F)c1F
Structure:
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