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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50121512
Substrate
n/a
Meas. Tech.
ChEMBL_158026 (CHEMBL768619)
Ki
5000±n/a nM
Kd
309000±n/a nM
KON
172 M-1s-1
Citation
 Markgren, PO; Schaal, W; Hämäläinen, M; Karlén, A; Hallberg, A; Samuelsson, B; Danielson, UH Relationships between structure and interaction kinetics for HIV-1 protease inhibitors. J Med Chem 45:5430-9 (2002) [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:
BDBM50121512
Synonyms:
2-[(2,5-Bis-benzyloxy-5-{[1-carboxy-2-(4-hydroxy-phenyl)-ethyl]-methyl-carbamoyl}-3,4-dihydroxy-pentanoyl)-methyl-amino]-3-(4-hydroxy-phenyl)-propionic acid | CHEMBL356211
Type:
Small organic molecule
Emp. Form.:
C40H44N2O12
Mol. Mass.:
744.7836
SMILES:
CN(C(Cc1ccc(O)cc1)C(O)=O)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(Cc1ccc(O)cc1)C(O)=O
Structure:
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