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Target
Protease
Ligand
BDBM50481018
Substrate
n/a
Meas. Tech.
ChEMBL_600545 (CHEMBL1049070)
IC50
0.301995±n/a nM
Citation
 da Cunha, EF; Sippl, W; de Castro Ramalho, T; Ceva Antunes, OA; de Alencastro, RB; Albuquerque, MG 3D-QSAR CoMFA/CoMSIA models based on theoretical active conformers of HOE/BAY-793 analogs derived from HIV-1 protease inhibitor complexes. Eur J Med Chem 44:4344-52 (2009) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus 1 (HIV-1)
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50481018
Synonyms:
CHEMBL568883
Type:
Small organic molecule
Emp. Form.:
C64H82N4O10S2
Mol. Mass.:
1131.487
SMILES:
CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C |r|
Structure:
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