Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50121499
Substrate
n/a
Meas. Tech.
ChEMBL_158026 (CHEMBL768619)
Ki
0.230000±n/a nM
Kd
7.0±n/a nM
KON
7060000000 M-1s-1
Citation
 Markgren, PO; Schaal, W; Hämäläinen, M; Karlén, A; Hallberg, A; Samuelsson, B; Danielson, UH Relationships between structure and interaction kinetics for HIV-1 protease inhibitors. J Med Chem 45:5430-9 (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:
BDBM50121499
Synonyms:
5,6-Dihydroxy-1,3-bis-(4-hydroxymethyl-benzyl)-4,7-bis-phenoxymethyl-[1,3]diazepan-2-one | CHEMBL150769
Type:
Small organic molecule
Emp. Form.:
C35H38N2O7
Mol. Mass.:
598.6854
SMILES:
OCc1ccc(CN2C(COc3ccccc3)[C@H](O)[C@@H](O)C(COc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1
Structure:
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