Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50135845
Substrate
n/a
Meas. Tech.
ChEMBL_159444 (CHEMBL763240)
IC50
1900±n/a nM
Citation
 Breccia, P; Boggetto, N; Pérez-Fernández, R; Van Gool, M; Takahashi, M; René, L; Prados, P; Badet, B; Reboud-Ravaux, M; de Mendoza, J Dimerization inhibitors of HIV-1 protease based on a bicyclic guanidinium subunit. J Med Chem 46:5196-207 (2003) [PubMed]  Article 
Target
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:
BDBM50135845
Synonyms:
Bicyclic Guanidinium Subunit | CHEMBL266754
Type:
Small organic molecule
Emp. Form.:
C58H84N9O12Si
Mol. Mass.:
1127.4256
SMILES:
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCCCC(=O)OC[C@@H]1CCN2CC[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[NH+]=C2N1)[C@@H](C)O |c:77|
Structure:
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