Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50089102
Substrate
n/a
Meas. Tech.
ChEBML_159150
EC50
189±n/a nM
Citation
 Matsumoto, H; Hamawaki, T; Ota, H; Kimura, T; Goto, T; Sano, K; Hayashi, Y; Kiso, Y 'Double-Drugs'--a new class of prodrug form of an HIV protease inhibitor conjugated with a reverse transcriptase inhibitor by a spontaneously cleavable linker. Bioorg Med Chem Lett 10:1227-31 (2000) [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:
BDBM50089102
Synonyms:
CHEMBL283116 | KNI-935
Type:
Small organic molecule
Emp. Form.:
C44H56N8O11S
Mol. Mass.:
905.027
SMILES:
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCC(=O)OCC1OC(CC1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C
Structure:
Search PDB for entries with ligand similarity: