Drug Information

Drug General Information
Drug ID
D08NOS
Former ID
DNC012781
Drug Name
AcAsp-Glu-Dif-Ile-Cha-Cys
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525978]
Structure
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2D MOL

3D MOL
Formula
C44H60N6O12S
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(CC(=O)O<br />)NC(=O)C
InChI
1S/C44H60N6O12S/c1-4-25(2)37(42(59)47-31(22-27-14-8-5-9-15-27)40(57)48-33(24-63)44(61)62)49-43(60)38(36(28-16-10-6-11-17-28)29-18-12-7-13-19-29)50-39(56)30(20-21-34(52)53)46-41(58)32(23-35(54)55)45-26(3)51/h6-7,10-13,16-19,25,27,30-33,36-38,63H,4-5,8-9,14-15,20-24H2,1-3H3,(H,45,51)(H,46,58)(H,47,59)(H,48,57)(H,49,60)(H,50,56)(H,52,53)(H,54,55)(H,61,62)/t25-,30+,31+,32+,33-,37-,38+/m1/s1
InChIKey
ZZXPMGNPISOZPV-IFWKXTFSSA-N
PubChem Compound ID
44305085
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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