Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50180655
Substrate
n/a
Meas. Tech.
ChEMBL_1729858 (CHEMBL4145136)
EC50
1160±n/a nM
Citation
 Hidaka, K; Kimura, T; Sankaranarayanan, R; Wang, J; McDaniel, KF; Kempf, DJ; Kameoka, M; Adachi, M; Kuroki, R; Nguyen, JT; Hayashi, Y; Kiso, Y Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine. J Med Chem 61:5138-5153 (2018) [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:
BDBM50180655
Synonyms:
A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | Kaletra | Lopinavir | med.21724, Compound 185
Type:
Small organic molecule
Emp. Form.:
C37H48N4O5
Mol. Mass.:
628.8008
SMILES:
CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1
Structure:
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