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Target
Structural capsid protein
Ligand
BDBM50486120
Substrate
n/a
Meas. Tech.
ChEMBL_885250 (CHEMBL2214223)
IC50
61±n/a nM
Citation
 Tremblay, M; Bonneau, P; Bousquet, Y; DeRoy, P; Duan, J; Duplessis, M; Gagnon, A; Garneau, M; Goudreau, N; Guse, I; Hucke, O; Kawai, SH; Lemke, CT; Mason, SW; Simoneau, B; Surprenant, S; Titolo, S; Yoakim, C Inhibition of HIV-1 capsid assembly: optimization of the antiviral potency by site selective modifications at N1, C2 and C16 of a 5-(5-furan-2-yl-pyrazol-1-yl)-1H-benzimidazole scaffold. Bioorg Med Chem Lett 22:7512-7 (2012) [PubMed]  Article 
Target
Name:
Structural capsid protein
Synonyms:
Structural capsid protein | gag
Type:
PROTEIN
Mol. Mass.:
12762.23
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106648
Residue:
115
Sequence:
ELERFAVNPALLETSEGCRQILGQLQPSLQTGSEELKSLFNTVATLYCVHQRIEVKDTKEALDKIEEEQNKSKKKAQQAQQAAAATGSSQVSQNYPIVQNLQGQMVHQPISPRTL
  
Inhibitor
Name:
BDBM50486120
Synonyms:
CHEMBL2204009
Type:
Small organic molecule
Emp. Form.:
C34H29F3N6O4
Mol. Mass.:
642.6271
SMILES:
CCc1cc(-c2ccc(o2)C(F)(F)F)n(n1)-c1ccc2n(Cc3ccc(=O)[nH]c3)c(nc2c1)-c1cc(ccc1O)C(=O)N1CCCC1
Structure:
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