Drug Information

Drug General Information
Drug ID
D0HT2D
Former ID
DNC012773
Drug Name
AcAsp-Glu-Met-Glu-Cha-Cys
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525978]
Structure
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2D MOL

3D MOL
Formula
C37H48N6O14S2
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(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(CS)C(=O)O
InChI
1S/C37H48N6O14S2/c1-19(44)38-27(17-31(49)50)36(55)40-23(9-11-29(45)46)32(51)41-25(13-14-59-2)34(53)39-24(10-12-30(47)48)33(52)42-26(35(54)43-28(18-58)37(56)57)16-20-7-8-21-5-3-4-6-22(21)15-20/h3-8,15,23-28,58H,9-14,16-18H2,1-2H3,(H,38,44)(H,39,53)(H,40,55)(H,41,51)(H,42,52)(H,43,54)(H,45,46)(H,47,48)(H,49,50)(H,56,57)/t23-,24-,25-,26-,27-,28-/m0/s1
InChIKey
FCGQLGIFPLXKQV-QUQVWLGBSA-N
PubChem Compound ID
484573
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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