Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Y5IQ
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| Former ID |
DNC010158
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| Drug Name |
Grassystatin a
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| Synonyms |
Grassystatin A; CHEMBL567893; GTPL8674
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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 |
C58H95N9O16
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| Canonical SMILES |
CC(C)CC(C(CC(=O)NC(C(C)O)C(=O)NC(C)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)OC)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)OC(=O)C(C(C)C)OC(=O)C(C(C)C)N(C)C
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| InChI |
1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1
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| InChIKey |
JZYWSTGTBRHGTL-BIXXXADNSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8674). | |||
| REF 2 | Grassystatins A-C from marine cyanobacteria, potent cathepsin E inhibitors that reduce antigen presentation. J Med Chem. 2009 Sep 24;52(18):5732-47. | |||
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