Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM4215
Substrate
HIV Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
4.7±n/a
Temperature
310.15±n/a K
Ki
57.5±n/a nM
Citation
Komai, T; Higashida, S; Sakurai, M; Nitta, T; Kasuya, A; Miyamaoto, S; Yagi, R; Ozawa, Y; Handa, H; Mohri, H; Yasuoka, A; Oka, S; Nishigaki, T; Kimura, S; Shimada, K; Yabe, Y Structure-activity relationships of HIV-1 PR inhibitors containing AHPBA--II. Modification of pyrrolidine ring at P1' proline. Bioorg Med Chem 4:1365-77 (1996) [PubMed] Article
More Info.:
Target
Name:
Dimer of Gag-Pol polyprotein [489-587]
Synonyms:
HIV-1 Protease
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
Component 2
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
Inhibitor
Name:
BDBM4215
Synonyms:
AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C31H41N5O7
Mol. Mass.:
595.6865
SMILES:
CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Substrate
Name:
HIV Protease Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2686.50
Organism:
n/a
Description:
n/a
Residue:
24
Sequence:
ACSERGLNASNTYRPRILEVALNH