Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0M2RI
|
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| Former ID |
DNC012772
|
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| Drug Name |
AcAsp-Gla-Leu-Ile-Cha-Cys
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C36H58N6O14S
|
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CC1CCCCC1)C(=O)NC(CS)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(CC(=O)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C
|
|||
| InChI |
1S/C36H58N6O14S/c1-6-18(4)28(33(51)39-23(13-20-10-8-7-9-11-20)30(48)40-25(16-57)36(55)56)41-31(49)22(12-17(2)3)38-34(52)29(21(35(53)54)14-26(44)45)42-32(50)24(15-27(46)47)37-19(5)43/h17-18,20-25,28-29,57H,6-16H2,1-5H3,(H,37,43)(H,38,52)(H,39,51)(H,40,48)(H,41,49)(H,42,50)(H,44,45)(H,46,47)(H,53,54)(H,55,56)/t18?,21?,22-,23-,24-,25-,28-,29+/m0/s1
|
|||
| InChIKey |
SBWANKMZZMQXKQ-JHOOERKCSA-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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