Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LLE7S8
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| Ligand Name |
5'-S-[1-(2-{[(2-Amino-7,7-Dimethyl-4-Oxo-3,4,7,8-Tetrahydropteridin-6-Yl)methyl]amino}ethyl)piperidin-4-Yl]-5'-Thioadenosine
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| Synonyms |
5'-S-[1-(2-{[(2-Amino-7,7-Dimethyl-4-Oxo-3,4,7,8-Tetrahydropteridin-6-Yl)methyl]amino}ethyl)piperidin-4-Yl]-5'-Thioadenosine; Q27461616
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| Structure |
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Download2D MOL |
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| Formula |
C26H38N12O4S
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| Canonical SMILES |
CC1(C(=NC2=C(N1)N=C(NC2=O)N)CNCCN3CCC(CC3)SCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)C
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| InChI |
1S/C26H38N12O4S/c1-26(2)15(33-17-21(36-26)34-25(28)35-23(17)41)9-29-5-8-37-6-3-13(4-7-37)43-10-14-18(39)19(40)24(42-14)38-12-32-16-20(27)30-11-31-22(16)38/h11-14,18-19,24,29,39-40H,3-10H2,1-2H3,(H2,27,30,31)(H4,28,34,35,36,41)/t14-,18-,19-,24-/m1/s1
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| InChIKey |
SQZWJXDKQKNJEE-KYKAGHOCSA-N
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| PubChem Compound ID | ||||
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