Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM294695
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:
BDBM294695
Synonyms:
US10112899, Example 173
Type:
Small organic molecule
Emp. Form.:
C33H33F4NO5
Mol. Mass.:
599.6124
SMILES:
Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cc(F)c(F)c(F)c1 |r,wD:23.27,(4.39,-2.17,;3.06,-1.4,;1.72,-2.17,;1.4,-3.68,;-.13,-3.84,;-.75,-2.43,;.39,-1.4,;.39,.14,;-.94,.91,;1.72,.91,;1.72,2.45,;3.06,3.22,;3.06,4.76,;4.39,5.53,;1.72,5.53,;1.72,7.07,;.39,7.84,;-.94,7.07,;-.94,5.53,;.39,4.76,;.39,3.22,;-.94,2.45,;3.06,.14,;4.39,.91,;4.39,2.45,;5.72,3.22,;5.72,4.76,;7.06,2.45,;7.06,3.99,;5.72,.14,;7.06,.91,;5.72,-1.4,;-.9,-5.17,;-.13,-6.51,;-2.44,-5.17,;-3.21,-3.84,;-4.75,-3.84,;-5.52,-2.5,;-5.52,-5.17,;-7.06,-5.17,;-4.75,-6.51,;-5.52,-7.84,;-3.21,-6.51,)|
Structure:
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