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Target
Integrase
Ligand
BDBM50538906
Substrate
n/a
Meas. Tech.
ChEMBL_1977295 (CHEMBL4610430)
EC50
>30000±n/a nM
Citation
 Peese, KM; Naidu, BN; Patel, M; Li, C; Langley, DR; Terry, B; Protack, T; Gali, V; Lin, Z; Samanta, HK; Zheng, M; Jenkins, S; Dicker, IB; Krystal, MR; Meanwell, NA; Walker, MA Heterocycle amide isosteres: An approach to overcoming resistance for HIV-1 integrase strand transfer inhibitors. Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article 
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:
BDBM50538906
Synonyms:
CHEMBL4649761
Type:
Small organic molecule
Emp. Form.:
C19H20FN5O3
Mol. Mass.:
385.3922
SMILES:
Cc1nc(nn1Cc1ccc(F)cc1)-c1nc2n(CCOC2(C)C)c(=O)c1O
Structure:
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