Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50121501
Substrate
n/a
Meas. Tech.
ChEMBL_302137 (CHEMBL841761)
Kd
420±n/a nM
Citation
 Shuman, CF; Vrang, L; Danielson, UH Improved structure-activity relationship analysis of HIV-1 protease inhibitors using interaction kinetic data. J Med Chem 47:5953-61 (2004) [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:
BDBM50121501
Synonyms:
CHEMBL345603 | {1-[1-Benzyl-3-(2-tert-butylcarbamoyl-phenylamino)-2-hydroxy-propylcarbamoyl]-2-carbamoyl-ethyl}-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C33H41N5O6
Mol. Mass.:
603.7085
SMILES:
CC(C)(C)NC(=O)c1ccccc1NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Structure:
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