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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50086886
Substrate
n/a
Meas. Tech.
ChEMBL_160747 (CHEMBL769061)
Ki
10±n/a nM
Citation
 Fairlie, DP; Tyndall, JD; Reid, RC; Wong, AK; Abbenante, G; Scanlon, MJ; March, DR; Bergman, DA; Chai, CL; Burkett, BA Conformational selection of inhibitors and substrates by proteolytic enzymes: implications for drug design and polypeptide processing. J Med Chem 43:1271-81 (2001) [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:
BDBM50086886
Synonyms:
CHEMBL436149 | N-[14-Benzyl-18-(3-guanidino-propyl)-11-(4-hydroxy-benzyl)-4,8,13,16,17,20-hexaoxo-1,2,3,5,6,7,8,11,12,13,14,15,16,17,18,19,20,20a-octadecahydro-4H-3a,7,12,15,19-pentaaza-cyclopentacyclononadecen-5-yl]-formamide
Type:
Small organic molecule
Emp. Form.:
C36H45N9O8
Mol. Mass.:
731.798
SMILES:
NC(=N)NCCC[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\C(Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C1=O)NC=O |t:24|
Structure:
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