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Target
Structural capsid protein
Ligand
BDBM50511740
Substrate
n/a
Meas. Tech.
ChEMBL_1845553 (CHEMBL4345980)
Kd
13600±n/a nM
Citation
 Sun, L; Dick, A; Meuser, ME; Huang, T; Zalloum, WA; Chen, CH; Cherukupalli, S; Xu, S; Ding, X; Gao, P; Kang, D; De Clercq, E; Pannecouque, C; Cocklin, S; Lee, KH; Liu, X; Zhan, P Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities. J Med Chem 63:4790-4810 (2020) [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:
BDBM50511740
Synonyms:
CHEMBL4471665
Type:
Small organic molecule
Emp. Form.:
C29H33N5O6S
Mol. Mass.:
579.667
SMILES:
COc1ccc(cc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc(N)cc1 |r|
Structure:
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