Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50473780
Substrate
n/a
Meas. Tech.
ChEMBL_158028 (CHEMBL858358)
Kd
7.9±n/a nM
Citation
 Ishchenko, AV; Shakhnovich, EI SMall Molecule Growth 2001 (SMoG2001): an improved knowledge-based scoring function for protein-ligand interactions. J Med Chem 45:2770-80 (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:
BDBM50473780
Synonyms:
CHEMBL72751 | GR-126045
Type:
Small organic molecule
Emp. Form.:
C32H38N4O4S
Mol. Mass.:
574.734
SMILES:
CC1(C)SC(NC1C(=O)NC(CO)Cc1ccccc1)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1
Structure:
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