Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [501-599]
Ligand
BDBM161
Substrate
Fluorescent peptide substrate
pH
5.5±n/a
Temperature
310.15±n/a K
Ki
0.018±n/a nM
Citation
 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2' structure-activity relationship, and molecular recognition of cyclic ureas. J Med Chem 39:3514-25 (1996) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [501-599]
Synonyms:
HIV-1 Protease | HIV-1 Protease, recombinant, isolate HXB2
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
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:
BDBM161
Synonyms:
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one | CHEMBL78671 | Cyclic Urea | Indazole, 1
Type:
n/a
Emp. Form.:
C35H34N6O3
Mol. Mass.:
586.6829
SMILES:
O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2ccc3[nH]ncc3c2)[C@@H]1Cc1ccccc1
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