Drug Information

Drug General Information
Drug ID
D0KK6A
Former ID
DIB019330
Drug Name
compound 2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534030], [541691]
Structure
Download
2D MOL
Formula
C34H53F2N5O7S
InChI
InChI=1S/C34H53F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-30,40,42H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-,30+/m0/s1
InChIKey
SXQPECMJHHMDFO-DUGYJJFCSA-N
PubChem Compound ID
15126552
PubChem Substance ID
103295916, 103976375, 178103180
Target and Pathway
Target(s) cathepsin E Target Info Inhibitor [534030]
References
Ref 534030Specificity in the binding of inhibitors to the active site of human/primate aspartic proteinases: analysis of P2-P1-P1'-P2' variation. J Med Chem. 1993 Sep 3;36(18):2614-20.
Ref 541691(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6566).
Ref 534030Specificity in the binding of inhibitors to the active site of human/primate aspartic proteinases: analysis of P2-P1-P1'-P2' variation. J Med Chem. 1993 Sep 3;36(18):2614-20.

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