Drug Information

Drug General Information
Drug ID
D04DXC
Former ID
DNC012764
Drug Name
AcGlu-Dif-Ile-Cha-Cys
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525978]
Structure
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2D MOL

3D MOL
Formula
C40H55N5O9S
Canonical SMILES
CCC(C)C(C(=O)NC(CC1CCCCC1)C(=O)NC(CS)C(=O)O)NC(=O)C(C(C<br />2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(CCC(=O)O)NC(=O)C
InChI
1S/C40H55N5O9S/c1-4-24(2)34(38(51)42-30(22-26-14-8-5-9-15-26)37(50)43-31(23-55)40(53)54)44-39(52)35(45-36(49)29(41-25(3)46)20-21-32(47)48)33(27-16-10-6-11-17-27)28-18-12-7-13-19-28/h6-7,10-13,16-19,24,26,29-31,33-35,55H,4-5,8-9,14-15,20-23H2,1-3H3,(H,41,46)(H,42,51)(H,43,50)(H,44,52)(H,45,49)(H,47,48)(H,53,54)/t24-,29+,30+,31-,34-,35+/m1/s1
InChIKey
WLXMMKXNDCWWHB-KGIQSIOISA-N
PubChem Compound ID
44304858
Target and Pathway
Target(s) Nonstructural protein NS3 Target Info Inhibitor [525978]
References
Ref 525978Bioorg Med Chem Lett. 2001 Jan 22;11(2):203-6.Inhibition of hepatitis C virus NS3 protease activity by product-based peptides is dependent on helicase domain.
Ref 525978Bioorg Med Chem Lett. 2001 Jan 22;11(2):203-6.Inhibition of hepatitis C virus NS3 protease activity by product-based peptides is dependent on helicase domain.

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