Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LM4W2Y
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| Ligand Name |
N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide
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| Synonyms |
N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide; CHEMBL5085659; BDBM496859; SARS-CoV-2 PLpro Inhibitor, 89; XR8-69; CS-0256218; Y61
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| Structure |
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Download2D MOL |
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| Formula |
C26H30N4O2S
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| Canonical SMILES |
CC1=C(C=C(C=C1)NC2CNC2)C(=O)NC(C)C3=CC=CC(=C3)C4=CC=C(S4)CNC(=O)C
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| InChI |
1S/C26H30N4O2S/c1-16-7-8-21(30-22-13-27-14-22)12-24(16)26(32)29-17(2)19-5-4-6-20(11-19)25-10-9-23(33-25)15-28-18(3)31/h4-12,17,22,27,30H,13-15H2,1-3H3,(H,28,31)(H,29,32)/t17-/m1/s1
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| InChIKey |
XOTUFJPCITWJHW-QGZVFWFLSA-N
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| PubChem Compound ID | ||||
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