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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50407669
Substrate
n/a
Meas. Tech.
ChEMBL_159137 (CHEMBL859312)
Ki
9.55±n/a nM
Citation
 Kroemer, RT; Ettmayer, P; Hecht, P 3D-quantitative structure-activity relationships of human immunodeficiency virus type-1 proteinase inhibitors: comparative molecular field analysis of 2-heterosubstituted statine derivatives-implications for the design of novel inhibitors. J Med Chem 38:4917-28 (1996) [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:
BDBM50407669
Synonyms:
CHEMBL345003
Type:
Small organic molecule
Emp. Form.:
C44H56N8O9
Mol. Mass.:
840.9636
SMILES:
COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCCNc2ccc(cn2)[N+]([O-])=O)cc1
Structure:
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