Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L9YMQ8
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| Ligand Name |
7-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-6-oxo-N-[(1R,2S)-2-(propanoylamino)cyclopentyl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide
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| Structure |
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Download2D MOL |
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| Formula |
C27H32N6O3S
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| Canonical SMILES |
CCC(=O)NC1CCCC1NC(=O)C2=C3C4=C(C=CN=C4S2)N(C(=O)N3)C5=CN=C(C=C5C)CC(C)C
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| InChI |
1S/C27H32N6O3S/c1-5-21(34)30-17-7-6-8-18(17)31-25(35)24-23-22-19(9-10-28-26(22)37-24)33(27(36)32-23)20-13-29-16(11-14(2)3)12-15(20)4/h9-10,12-14,17-18H,5-8,11H2,1-4H3,(H,30,34)(H,31,35)(H,32,36)/t17-,18+/m0/s1
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| InChIKey |
KBWVWXCEDLZVBM-ZWKOTPCHSA-N
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| PubChem Compound ID | ||||
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