Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50163694
Substrate
n/a
Meas. Tech.
ChEMBL_303178 (CHEMBL829672)
Ki
223±n/a nM
Citation
 Hwang, YS; Chmielewski, J Development of low molecular weight HIV-1 protease dimerization inhibitors. J Med Chem 48:2239-42 (2005) [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:
BDBM50163694
Synonyms:
(S)-3-(4-Benzoyl-phenyl)-2-((S)-3-carbamoyl-2-{15-[(S)-1-((R)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-methyl-butylcarbamoyl]-pentadecanoylamino}-propionylamino)-propionic acid | CHEMBL195426
Type:
Small organic molecule
Emp. Form.:
C51H70N6O9
Mol. Mass.:
911.1363
SMILES:
CCC(C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Structure:
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