Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [1148-1435]
Ligand
BDBM541767
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
IC50
9.0±n/a nM
Citation
 Johns, BA; Kawasuji, T; Taishi, T; Taoda, Y Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity US Patent  US11267823 Publication Date 3/8/2022 
Target
Name:
Gag-Pol polyprotein [1148-1435]
Synonyms:
HIV-1 Integrase | POL_HV1H2 | gag-pol
Type:
Enzyme
Mol. Mass.:
32171.42
Organism:
Human immunodeficiency virus type 1
Description:
The sequence encoding the 288-amino-acid wild-type full-length integrase was cloned with an N-terminal 6His tag, and expressed in E. coli.
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTGATVRAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRNPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM541767
Synonyms:
5-Hydroxy-4,6-dioxo-2,3,4,6,9,9a-hexahydro-1-oxa-3a,8a-diaza-cyclopenta[b]naphthalene-7 carboxylic acid 4-fluorobenzylamide | US11267823, Example C-2
Type:
Small organic molecule
Emp. Form.:
C18H16FN3O5
Mol. Mass.:
373.3351
SMILES:
Oc1c2C(=O)N3CCOC3Cn2cc(C(=O)NCc2ccc(F)cc2)c1=O
Structure:
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