Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0FR8Z
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| Former ID |
DNC012771
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| Drug Name |
AcAsp-Glu-Met-Glu-Nal-Cyse
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| Synonyms |
CHEMBL64618; Ac-Asp-Glu-Met-Glu-Cha-Cys-OH; AcAsp-Glu-Met-Glu-Nal-Cyse; AC1LAAIY; BDBM50096405; AcAsp-Glu-Met-GLu-Cha(beta-cyclohexylalanine)-Cys; Ac-Asp-Glu-Met-Glu-beta-Cyclohexylalanine-Cys-OH; Ac-L-Asp-L-Glu-L-Met-L-Glu-3-Cyclohexyl-L-Ala-L-Cys-OH; (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-3-cyclohexyl-1-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-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 |
C33H52N6O14S2
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| Canonical SMILES |
CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CC1CCCCC1)C(=O)NC(CS)C(=O)O
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| 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
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| InChIKey |
QFFHVIGQVJVQSD-BTNSXGMBSA-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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