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Target
Integrase
Ligand
BDBM50527156
Substrate
n/a
Meas. Tech.
ChEMBL_1902393 (CHEMBL4404615)
Ki
>40000±n/a nM
Citation
 Li, G; Meanwell, NA; Krystal, MR; Langley, DR; Naidu, BN; Sivaprakasam, P; Lewis, H; Kish, K; Khan, JA; Ng, A; Trainor, GL; Cianci, C; Dicker, IB; Walker, MA; Lin, Z; Protack, T; Discotto, L; Jenkins, S; Gerritz, SW; Pendri, A Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors. J Med Chem 63:2620-2637 (2020) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50527156
Synonyms:
CHEMBL4551451
Type:
Small organic molecule
Emp. Form.:
C26H28N4O3
Mol. Mass.:
444.5255
SMILES:
Cc1ccc(Nc2c(C(OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2ccccc2)cc1
Structure:
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