Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50062933
Substrate
n/a
Meas. Tech.
ChEMBL_159631 (CHEMBL881815)
IC50
14±n/a nM
Citation
 Kempf, DJ; Sham, HL; Marsh, KC; Flentge, CA; Betebenner, D; Green, BE; McDonald, E; Vasavanonda, S; Saldivar, A; Wideburg, NE; Kati, WM; Ruiz, L; Zhao, C; Fino, L; Patterson, J; Molla, A; Plattner, JJ; Norbeck, DW Discovery of ritonavir, a potent inhibitor of HIV protease with high oral bioavailability and clinical efficacy. J Med Chem 41:602-17 (1998) [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:
BDBM50062933
Synonyms:
((1S,2S,4S)-1-Benzyl-4-{3-[3-cyclopropyl-3-(2-isopropyl-thiazol-4-ylmethyl)-ureido]-propionylamino}-2-hydroxy-5-phenyl-pentyl)-carbamic acid thiazol-5-ylmethyl ester | CHEMBL357706
Type:
Small organic molecule
Emp. Form.:
C37H46N6O5S2
Mol. Mass.:
718.928
SMILES:
CC(C)c1nc(CN(C2CC2)C(=O)NCCC(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1
Structure:
Search PDB for entries with ligand similarity: