Target
Integrase
Ligand
BDBM294670
Substrate
n/a
Meas. Tech.
Anti-HIV Activity MT4 Assay
IC50
2.00±n/a nM
Citation
 Johns, BAVelthuisen, EJWeatherhead, JGSuwandi, LTemelkoff, D Isoindoline derivatives for use in the treatment of a viral infection US Patent  US10112899 Publication Date 10/30/2018 
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:
BDBM294670
Synonyms:
US10112899, Example 149
Type:
Small organic molecule
Emp. Form.:
C34H38FNO5
Mol. Mass.:
559.6676
SMILES:
Cc1cccc(c1)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C |r,wD:30.34,(-3.21,-9.17,;-2.44,-7.84,;-.9,-7.84,;-.13,-6.51,;-.9,-5.17,;-2.44,-5.17,;-3.21,-6.51,;-3.21,-3.84,;-4.75,-3.84,;-2.44,-2.5,;-.91,-2.34,;-.59,-.84,;-1.92,-.07,;-3.06,-1.1,;-1.92,1.47,;-3.25,2.24,;-.59,2.24,;-.59,3.78,;.75,4.55,;.75,6.09,;2.08,6.86,;-.59,6.86,;-.59,8.4,;-1.92,9.17,;-3.25,8.4,;-3.25,6.86,;-1.92,6.09,;-1.92,4.55,;-3.25,3.78,;.75,1.47,;2.08,2.24,;2.08,3.78,;3.41,4.55,;3.41,6.09,;4.75,3.78,;4.75,5.32,;3.41,1.47,;4.75,2.24,;3.41,-.07,;.75,-.07,;2.08,-.84,)|
Structure:
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