Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50091616
Substrate
n/a
Meas. Tech.
ChEMBL_159325 (CHEMBL769378)
IC50
0.14±n/a nM
Citation
 Dorsey, BDMcDonough, CMcDaniel, SLLevin, RBNewton, CLHoffman, JMDarke, PLZugay-Murphy, JAEmini, EASchleif, WAOlsen, DBStahlhut, MWRutkowski, CAKuo, LCLin, JHChen, IWMichelson, SRHolloway, MKHuff, JRVacca, JP Identification of MK-944a: a second clinical candidate from the hydroxylaminepentanamide isostere series of HIV protease inhibitors. J Med Chem 43:3386-99 (2000) [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:
BDBM50091616
Synonyms:
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-quinolin-3-ylmethyl-piperazine-2-carboxylic acid tert-butylamide | CHEMBL325951
Type:
Small organic molecule
Emp. Form.:
C40H49N5O4
Mol. Mass.:
663.8482
SMILES:
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3ccccc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Structure:
Search PDB for entries with ligand similarity: