Drug Information

Drug General Information
Drug ID
D0FR8Z
Former ID
DNC012771
Drug Name
AcAsp-Glu-Met-Glu-Nal-Cyse
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525978]
Structure
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2D MOL

3D MOL
Formula
C33H52N6O14S2
Canonical SMILES
CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(<br />CCC(=O)O)C(=O)NC(CC1CCCCC1)C(=O)NC(CS)C(=O)O
InChI
1S/C33H52N6O14S2/c1-17(40)34-23(15-27(45)46)32(51)36-19(8-10-25(41)42)28(47)37-21(12-13-55-2)30(49)35-20(9-11-26(43)44)29(48)38-22(14-18-6-4-3-5-7-18)31(50)39-24(16-54)33(52)53/h18-24,54H,3-16H2,1-2H3,(H,34,40)(H,35,49)(H,36,51)(H,37,47)(H,38,48)(H,39,50)(H,41,42)(H,43,44)(H,45,46)(H,52,53)/t19-,20-,21-,22-,23-,24-/m0/s1
InChIKey
QFFHVIGQVJVQSD-BTNSXGMBSA-N
PubChem Compound ID
484571
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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