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Target
Structural capsid protein
Ligand
BDBM50599341
Substrate
n/a
Meas. Tech.
ChEMBL_2230035 (CHEMBL5143807)
IC50
26310±n/a nM
Citation
 Zhang, X; Sun, L; Meuser, ME; Zalloum, WA; Xu, S; Huang, T; Cherukupalli, S; Jiang, X; Ding, X; Tao, Y; Kang, D; De Clercq, E; Pannecouque, C; Dick, A; Cocklin, S; Liu, X; Zhan, P Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors. Eur J Med Chem 226:0 (2021) [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:
BDBM50599341
Synonyms:
CHEMBL5202526
Type:
Small organic molecule
Emp. Form.:
C42H44F4N6O7
Mol. Mass.:
820.8284
SMILES:
COc1ccc(cc1)N(C)C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)CN1CCN(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N(C)c2ccc(OC)cc2)C(=O)C1 |r|
Structure:
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