Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50121493
Substrate
n/a
Meas. Tech.
ChEMBL_158026 (CHEMBL768619)
Ki
1400±n/a nM
Kd
7910±n/a nM
KON
41000 M-1s-1
Citation
 Markgren, POSchaal, WHämäläinen, MKarlén, AHallberg, ASamuelsson, BDanielson, 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:
BDBM50121493
Synonyms:
2-[2,5-Bis-benzyloxy-3,4-dihydroxy-5-(1-methoxycarbonyl-2-methyl-propylcarbamoyl)-pentanoylamino]-3-methyl-butyric acid methyl ester | CHEMBL358219
Type:
Small organic molecule
Emp. Form.:
C32H44N2O10
Mol. Mass.:
616.6992
SMILES:
COC(=O)C(NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NC(C(C)C)C(=O)OC)C(C)C
Structure:
Search PDB for entries with ligand similarity: