Reaction Details
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Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM2567
Substrate
Peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
4.7±n/a
Temperature
310.15±n/a K
IC50
3000±n/a nM
Citation
Tummino, PJ; Prasad, JV; Ferguson, D; Nouhan, C; Graham, N; Domagala, JM; Ellsworth, E; Gajda, C; Hagen, SE; Lunney, EA; Para, KS; Tait, BD; Pavlovsky, A; Erickson, JW; Gracheck, S; McQuade, TJ; Hupe, DJ Discovery and optimization of nonpeptide HIV-1 protease inhibitors. Bioorg Med Chem 4:1401-10 (1996) [PubMed] Article 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:
BDBM2567
Synonyms:
4-hydroxy-6-phenyl-3-(phenylsulfanyl)-2H-pyran-2-one | 4-hydroxy-6-phenylpyranone 2 | CHEMBL310487
Type:
Small organic molecule
Emp. Form.:
C17H12O3S
Mol. Mass.:
296.34
SMILES:
Oc1cc(oc(=O)c1Sc1ccccc1)-c1ccccc1
Structure:
Substrate
Name:
Peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4517.01
Organism:
n/a
Description:
n/a
Residue:
41
Sequence:
HHISLYSALAARGVALLEPNPHEGLALANRLECINESERNH