Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04LUF
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| Former ID |
DNC012795
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| Drug Name |
AcGlu-Dif-Glu-Cha-Cys
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| Synonyms |
CHEMBL431559; AcGlu-Dif-Glu-Cha-Cys; AC1LAAI4; Ac-Glu-Dif-Glu-Cha-Cys-OH; BDBM50096407; Ac-L-Glu-3,3-Diphenyl-L-Ala-L-Glu-3-cyclohexyl-L-Ala-L-Cys-OH; AcGlu-Dif(3,3-diphenylalanine)-Glu-Cha(beta-cychohexylalanine)-Cys; (4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C39H51N5O11S
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| Canonical SMILES |
CC(=O)NC(CCC(=O)O)C(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)NC(CCC(=O)O)C(=O)NC(CC3CCCCC3)C(=O)NC(CS)C(=O)O
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| InChI |
1S/C39H51N5O11S/c1-23(45)40-27(17-19-31(46)47)36(51)44-34(33(25-13-7-3-8-14-25)26-15-9-4-10-16-26)38(53)41-28(18-20-32(48)49)35(50)42-29(21-24-11-5-2-6-12-24)37(52)43-30(22-56)39(54)55/h3-4,7-10,13-16,24,27-30,33-34,56H,2,5-6,11-12,17-22H2,1H3,(H,40,45)(H,41,53)(H,42,50)(H,43,52)(H,44,51)(H,46,47)(H,48,49)(H,54,55)/t27-,28-,29-,30-,34-/m0/s1
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| InChIKey |
JVFCWJBRHCCRTF-ULYIESCMSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Hepatitis C virus NS3 helicase (HCV NS3) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Inhibition of hepatitis C virus NS3 protease activity by product-based peptides is dependent on helicase domain. Bioorg Med Chem Lett. 2001 Jan 22;11(2):203-6. | |||
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