Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50480933
Substrate
n/a
Meas. Tech.
ChEMBL_594343 (CHEMBL1048541)
Ki
1.7±n/a nM
Citation
 Mahalingam, AK; Axelsson, L; Ekegren, JK; Wannberg, J; Kihlström, J; Unge, T; Wallberg, H; Samuelsson, B; Larhed, M; Hallberg, A HIV-1 protease inhibitors with a transition-state mimic comprising a tertiary alcohol: improved antiviral activity in cells. J Med Chem 53:607-15 (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:
BDBM50480933
Synonyms:
CHEMBL583370
Type:
Small organic molecule
Emp. Form.:
C40H47N5O6
Mol. Mass.:
693.8311
SMILES:
COC(=O)N[C@H](C(=O)NN(CC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r|
Structure:
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