Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50121517
Substrate
n/a
Meas. Tech.
ChEMBL_158026 (CHEMBL768619)
Ki
140±n/a nM
Kd
7030±n/a nM
KON
109000 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:
BDBM50121517
Synonyms:
2-({2,5-Bis-benzyloxy-5-[(1-carboxy-2-phenyl-ethyl)-methyl-carbamoyl]-3,4-dihydroxy-pentanoyl}-methyl-amino)-3-phenyl-propionic acid | CHEMBL357785
Type:
Small organic molecule
Emp. Form.:
C40H44N2O10
Mol. Mass.:
712.7848
SMILES:
CN(C(Cc1ccccc1)C(O)=O)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: