Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50109712
Substrate
n/a
Meas. Tech.
ChEMBL_159447 (CHEMBL766793)
IC50
2.00±n/a nM
Citation
 Cheng, Y; Rano, TA; Huening, TT; Zhang, F; Lu, Z; Schleif, WA; Gabryelski, L; Olsen, DB; Stahlhut, M; Kuo, LC; Lin, JH; Xu, X; Jin, L; Olah, TV; McLoughlin, DA; King, RC; Chapman, KT; Tata, JR A combinatorial library of indinavir analogues and its in vitro and in vivo studies. Bioorg Med Chem Lett 12:529-32 (2002) [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:
BDBM50109712
Synonyms:
(S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(5-phenyl-thiazol-2-ylmethyl)-piperazine-2-carboxylic acid tert-butylamide | CHEMBL358228
Type:
Small organic molecule
Emp. Form.:
C40H49N5O4S
Mol. Mass.:
695.913
SMILES:
CC(C)(C)NC(=O)[C@@H]1CN(Cc2ncc(s2)-c2ccccc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Structure:
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