Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50014145
Substrate
n/a
Meas. Tech.
ChEMBL_159470 (CHEMBL769256)
IC50
0.220000±n/a nM
Citation
 Kempf, DJ; Norbeck, DW; Codacovi, L; Wang, XC; Kohlbrenner, WE; Wideburg, NE; Paul, DA; Knigge, MF; Vasavanonda, S; Craig-Kennard, A Structure-based, C2 symmetric inhibitors of HIV protease. J Med Chem 33:2687-9 (1990) [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:
BDBM50014145
Synonyms:
CHEMBL314298 | {1-[1-Benzyl-4-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-2,3-dihydroxy-5-phenyl-pentylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C44H54N4O8
Mol. Mass.:
766.9216
SMILES:
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Structure:
Search PDB for entries with ligand similarity: