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Target
Protease
Ligand
BDBM50482685
Substrate
n/a
Meas. Tech.
ChEMBL_658208 (CHEMBL1246600)
IC50
>114000±n/a nM
Citation
 Dong, MX; Zhang, J; Peng, XQ; Lu, H; Yun, LH; Jiang, S; Dai, QY Tricyclononene carboxamide derivatives as novel anti-HIV-1 agents. Eur J Med Chem 45:4096-103 (2010) [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:
BDBM50482685
Synonyms:
CHEMBL1241554
Type:
Small organic molecule
Emp. Form.:
C26H22N4O3
Mol. Mass.:
438.4779
SMILES:
[H][C@@]12C3C=CC(C4CC34)[C@]1([H])C(=O)N(NC(=O)c1ccc(Cn3cnc4ccccc34)cc1)C2=O |r,c:3,TLB:7:8:3.4:1.9,7:6:3.4:1.9,THB:11:9:3.4:8.6|
Structure:
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