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Target
Protease
Ligand
BDBM50478901
Substrate
n/a
Meas. Tech.
ChEMBL_527308 (CHEMBL971950)
IC50
>195000±n/a nM
Citation
 Ma, C; Nakamura, N; Hattori, M; Kakuda, H; Qiao, J; Yu, H Inhibitory effects on HIV-1 protease of constituents from the wood of Xanthoceras sorbifolia. J Nat Prod 63:238-42 (2000) [PubMed]  Article
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus 1 (HIV-1)
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50478901
Synonyms:
CHEMBL474062
Type:
Small organic molecule
Emp. Form.:
C32H48O5
Mol. Mass.:
512.7205
SMILES:
[H][C@]1([#6]-[#6][C@]2([#6])[#6]3=[#6]-[#6][C@@]4([H])[C@@]([#6])([#6]-[#8]-[#6](-[#6])=O)[#6](=O)-[#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@@]12[#6])[#6@H](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O |r,t:6|
Structure:
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