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Target
Structural capsid protein
Ligand
BDBM50491654
Substrate
n/a
Meas. Tech.
ChEMBL_960663 (CHEMBL2390257)
IC50
1100±n/a nM
Citation
 Fader, LD; Landry, S; Morin, S; Kawai, SH; Bousquet, Y; Hucke, O; Goudreau, N; Lemke, CT; Bonneau, P; Titolo, S; Mason, S; Simoneau, B Optimization of a 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione series of HIV capsid assembly inhibitors 1: addressing configurational instability through scaffold modification. Bioorg Med Chem Lett 23:3396-400 (2013) [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:
BDBM50491654
Synonyms:
CHEMBL2387177
Type:
Small organic molecule
Emp. Form.:
C29H27F3N2O3
Mol. Mass.:
508.5315
SMILES:
CCN1c2ccc(cc2N(c2ccccc2)C(=O)C2(CC(C(C)C)c3cc(O)ccc23)C1=O)C(F)(F)F
Structure:
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