Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM294850
Substrate
n/a
Meas. Tech.
Anti-HIV Activity MT4 Assay
IC50
3.00±n/a nM
Citation
 Johns, BA; Velthuisen, EJ; Weatherhead, JG; Suwandi, L; Temelkoff, 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:
BDBM294850
Synonyms:
US10112899, Example 320
Type:
Small organic molecule
Emp. Form.:
C31H38F2N2O5
Mol. Mass.:
556.6406
SMILES:
Cc1c2CN(Cc2c(C)c(-c2ccc3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)N1CCC(F)(F)C1 |r,wD:22.26,(2.08,-1.44,;.75,-.67,;-.59,-1.44,;-.91,-2.95,;-2.44,-3.11,;-3.06,-1.71,;-1.92,-.67,;-1.92,.87,;-3.25,1.64,;-.59,1.64,;-.59,3.18,;.75,3.95,;.75,5.49,;-.59,6.26,;-.59,7.8,;-1.92,8.57,;-3.25,7.8,;-3.25,6.26,;-1.92,5.49,;-1.92,3.95,;-3.25,3.18,;.75,.87,;2.08,1.64,;2.08,3.18,;3.41,3.95,;3.41,5.49,;4.75,3.18,;4.75,4.72,;3.41,.87,;4.75,1.64,;3.41,-.67,;-3.21,-4.45,;-4.75,-4.45,;-2.44,-5.78,;-3.34,-7.03,;-2.44,-8.27,;-.97,-7.8,;.36,-7.03,;.36,-8.57,;-.97,-6.26,)|
Structure:
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