Reaction Details
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Target
Protease
Ligand
BDBM50496363
Substrate
n/a
Meas. Tech.
ChEMBL_1298586 (CHEMBL3132373)
IC50
73000±n/a nM
Citation
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More Info.:
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:
BDBM50496363
Synonyms:
CHEMBL3126460
Type:
Small organic molecule
Emp. Form.:
C61H98O6
Mol. Mass.:
927.4272
SMILES:
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15|