Reaction Details  Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50285692
Substrate
n/a
Meas. Tech.
ChEMBL_79978 (CHEMBL874137)
Ki
41±n/a nM
Citation
 Randad, RS; Lubkowska, L; Bujacz, A; Naik, RH; Gulnik, SV; Yu, B; Silva, A; Munshi, S; Lynch, TM; Clanton, DJ; Bhat, TN; Erickson, JW Structure-based design of achiral anthranilamides as P2/P2′ surrogates for symmetry-based HIV protease inhibitors: design, synthesis, X-ray structure, enzyme inhibition and antiviral activity Bioorg Med Chem Lett 5:2557-2562 (1995)    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:
BDBM50285692
Synonyms:
1N-[1-benzyl-2,3-dihydroxy-4-(2-methylcarboxamidophenylcarboxamido)-5-phenyl-(1S,2R,3S,4S)-pentyl]-2-methylcarboxamidobenzamide | CHEMBL85593
Type:
Small organic molecule
Emp. Form.:
C36H38N4O6
Mol. Mass.:
622.7101
SMILES:
CC(=O)Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(C)=O
Structure:
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