Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0HT2D
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| Former ID |
DNC012773
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| Drug Name |
AcAsp-Glu-Met-Glu-Cha-Cys
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| Synonyms |
CHEMBL64867; AcAsp-Glu-Met-Glu-Cha-Cys; AC1LAAJ4; BDBM50096409; AcAsp-Glu-Met-Glu-Nal(2-naphthylalanine)-Cys; Ac-L-Asp-L-Glu-L-Met-L-Glu-3-(2-Naphthyl)-L-Ala-L-Cys-OH; (R)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-carboxy-propanoylamino)-4-carboxy-butanoylamino]-4-methylsulfanyl-butanoylamino}-4-carboxy-butanoylamino)-3-naphthalen-2-yl-propanoylamino]-3-mercapto-propionic 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 |
C37H48N6O14S2
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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(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(CS)C(=O)O
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| 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
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| InChIKey |
FCGQLGIFPLXKQV-QUQVWLGBSA-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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