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Target
Integrase
Ligand
BDBM50538907
Substrate
n/a
Meas. Tech.
ChEMBL_1977295 (CHEMBL4610430)
EC50
>64000±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:
BDBM50538907
Synonyms:
CHEMBL4637079
Type:
Small organic molecule
Emp. Form.:
C19H18ClFN4O3
Mol. Mass.:
404.823
SMILES:
CC1(C)OCCn2c1nc(-c1nc(Cl)c(Cc3ccc(F)cc3)[nH]1)c(O)c2=O
Structure:
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