Drug Information

Drug General Information
Drug ID
D0M2RI
Former ID
DNC012772
Drug Name
AcAsp-Gla-Leu-Ile-Cha-Cys
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525978]
Structure
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2D MOL

3D MOL
Formula
C36H58N6O14S
Canonical SMILES
CCC(C)C(C(=O)NC(CC1CCCCC1)C(=O)NC(CS)C(=O)O)NC(=O)C(CC(<br />C)C)NC(=O)C(C(CC(=O)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C
InChI
1S/C36H58N6O14S/c1-6-18(4)28(33(51)39-23(13-20-10-8-7-9-11-20)30(48)40-25(16-57)36(55)56)41-31(49)22(12-17(2)3)38-34(52)29(21(35(53)54)14-26(44)45)42-32(50)24(15-27(46)47)37-19(5)43/h17-18,20-25,28-29,57H,6-16H2,1-5H3,(H,37,43)(H,38,52)(H,39,51)(H,40,48)(H,41,49)(H,42,50)(H,44,45)(H,46,47)(H,53,54)(H,55,56)/t18?,21?,22-,23-,24-,25-,28-,29+/m0/s1
InChIKey
SBWANKMZZMQXKQ-JHOOERKCSA-N
PubChem Compound ID
44305052
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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