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Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM1728
Substrate
Fluorescent peptide substrate
Meas. Tech.
Protease Inhibition Assay
Ki
340±n/a nM
Citation
 Jadhav, PK; Woerner, FJ; Lam, PY; Hodge, CN; Eyermann, CJ; Man, HW; Daneker, WF; Bacheler, LT; Rayner, MM; Meek, JL; Erickson-Viitanen, S; Jackson, DA; Calabrese, JC; Schadt, M; Chang, CH Nonpeptide cyclic cyanoguanidines as HIV-1 protease inhibitors: synthesis, structure-activity relationships, and X-ray crystal structure studies. J Med Chem 41:1446-55 (1998) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [489-587]
Synonyms:
HIV-1 Protease
Type:
Tandem linked enzyme construct
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM1728
Synonyms:
(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis({[3-(benzyloxy)phenyl]methyl})-5,6-dihydroxy-1,3-diazepan-2-one | Cyclic Urea deriv. 9t
Type:
Small organic molecule
Emp. Form.:
C47H46N2O5
Mol. Mass.:
718.8785
SMILES:
O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(OCc3ccccc3)c2)C(=O)N(Cc2cccc(OCc3ccccc3)c2)[C@@H]1Cc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Fluorescent peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4608.75
Organism:
n/a
Description:
n/a
Residue:
42
Sequence:
AMINENYLALATHRHISGLNVALTYRPHENVALARGLYSALA