Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGag-Pol polyprotein [489-587]
LigandBDBM50046415
Substrate/Competitorn/a
Meas. Tech.ChEMBL_159311 (CHEMBL769364)
IC50 24±n/a nM
Citation Kempf, DJCodacovi, LWang, XCKohlbrenner, WEWideburg, NESaldivar, AVasavanonda, SMarsh, KCBryant, PSham, HL Symmetry-based inhibitors of HIV protease. Structure-activity studies of acylated 2,4-diamino-1,5-diphenyl-3-hydroxypentane and 2,5-diamino-1,6-diphenylhexane-3,4-diol. J Med Chem36:320-30 (1993) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Gag-Pol polyprotein [489-587]
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:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50046415
n/a
NameBDBM50046415
Synonyms:CHEMBL322939 | N-{1-Benzyl-2,3-dihydroxy-4-[3-methyl-2-(2-pyridin-4-yl-ethanesulfonylamino)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(2-pyridin-4-yl-ethanesulfonylamino)-butyramide
TypeSmall organic molecule
Emp. Form.C42H56N6O8S2
Mol. Mass.837.059
SMILESCC(C)[C@H](NS(=O)(=O)CCc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)CCc1ccncc1)C(C)C
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: