Drug General Information
Drug ID
D0X6WQ
Former ID
DNC003093
Drug Name
BENZOYL-TYROSINE-ALANINE-METHYL KETONE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551374]
Structure
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2D MOL

3D MOL

Formula
C21H24N2O5
Canonical SMILES
CC(C(=O)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)OCC2=CC=CC=C2
InChI
1S/C21H24N2O5/c1-14(15(2)24)22-20(26)19(12-16-8-10-18(25)11-9-16)23-21(27)28-13-17-6-4-3-5-7-17/h3-11,14,19,25H,12-13H2,1-2H3,(H,22,26)(H,23,27)/t14-,19-/m0/s1
InChIKey
CLDDOKCDXBMMKZ-LIRRHRJNSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Cathepsin F Target Info Inhibitor [551374]
KEGG Pathway Lysosome
NetPath Pathway IL2 Signaling Pathway
Reactome MHC class II antigen presentation
References
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

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