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Target
HIV-1 protease
Ligand
BDBM50180655
Substrate
n/a
Meas. Tech.
ChEMBL_768437 (CHEMBL1832156)
IC50
25±n/a nM
Citation
 Makatini, MM; Petzold, K; Sriharsha, SN; Ndlovu, N; Soliman, ME; Honarparvar, B; Parboosing, R; Naidoo, A; Arvidsson, PI; Sayed, Y; Govender, P; Maguire, GE; Kruger, HG; Govender, T Synthesis and structural studies of pentacycloundecane-based HIV-1 PR inhibitors: a hybrid 2D NMR and docking/QM/MM/MD approach. Eur J Med Chem 46:3976-85 (2011) [PubMed]  Article 
Target
Name:
HIV-1 protease
Synonyms:
HIV-1 | HIV-1 protease | protease
Type:
PROTEIN
Mol. Mass.:
10795.19
Organism:
Human immunodeficiency virus
Description:
ChEMBL_118439
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLIGPTPVNIIGRNLLTQIGCTLNF
  
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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