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Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM1702
Substrate
Fluorescent peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
Ki
0.72±n/a nM
Comments
The lower limit of the detection forthe assay has been improved by lowering the enzymeconcentration from 62 to 50 pM.
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:
BDBM1702
Synonyms:
Cyclic Cyanoguanidine deriv. 8r | [4R-(4a,5a,6B,7B)]-[Hexahydro-5,6-dihydroxy-1,3-bis[(3-hydroxyphenyl)methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-ylidene]cyanamide | {[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(3-hydroxyphenyl)methyl]-1,3-diazepan-2-ylidene]amino}carbonitrile
Type:
Small organic molecule
Emp. Form.:
C34H34N4O4
Mol. Mass.:
562.6582
SMILES:
[#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2cccc(-[#8])c2)\[#6](=[#7]/C#N)-[#7](-[#6]-c2cccc(-[#8])c2)-[#6@@H]-1-[#6]-c1ccccc1 |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