Target
Dimer of Gag-Pol polyprotein [501-599]
Ligand
BDBM517
Substrate
HIV Protease Chromogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
4.7±n/a
Temperature
310.15±n/a K
Ki
3.1±0.1 nM
Km
18000±2000 nM
Comments
kcat/Km=1.2 +/- 0.2 uM-1sec-1
Citation
 Clemente, JCComan, RMThiaville, MMJanka, LKJeung, JANukoolkarn, SGovindasamy, LAgbandje-McKenna, MMcKenna, RLeelamanit, WGoodenow, MMDunn, BM Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir. Biochemistry 45:5468-77 (2006) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [501-599]
Synonyms:
HIV-1 Protease B Subtype
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
HIV-1 protease DNA for all the HIV B and AE variants was cloned, and protein was expressed and purified from Escherichia coli strain BL21.
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [501-599]
Synonyms:
BRU isolated | HIV-1 Protease B Subtype Chain A | HIV-1 Protease B Subtype Chain B | HIV-1 Protease chain A | LAI(Wild type) | POL_HV1BR | Protease Retropepsin | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10795.19
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [501-599]
Synonyms:
BRU isolated | HIV-1 Protease B Subtype Chain A | HIV-1 Protease B Subtype Chain B | HIV-1 Protease chain A | LAI(Wild type) | POL_HV1BR | Protease Retropepsin | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10795.19
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM517
Synonyms:
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide | CHEMBL115 | Crixivan | INDINAVIR SULFATE | Indinavir | Indinavir, 19 | L-735, 524 | MK639
Type:
Small organic molecule
Emp. Form.:
C36H47N5O4
Mol. Mass.:
613.7895
SMILES:
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |@:19,@@:9|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV Protease Chromogenic Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
1420.11
Organism:
n/a
Description:
n/a
Residue:
13
Sequence:
KARVLNPHEANLG