Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LLE6B3
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| Ligand Name |
5'-S-[1-(2-{[(2-Amino-7,7-Dimethyl-4-Oxo-3,4,7,8-Tetrahydropteridin-6-Yl)carbonyl]amino}ethyl)piperidin-4-Yl]-5'-Thioadenosine
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| Synonyms |
CHEMBL1928285; 5'-S-[1-(2-{[(2-Amino-7,7-Dimethyl-4-Oxo-3,4,7,8-Tetrahydropteridin-6-Yl)carbonyl]amino}ethyl)piperidin-4-Yl]-5'-Thioadenosine; BDBM50484528; Q27461624
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| Structure |
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Download2D MOL |
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| Formula |
C26H36N12O5S
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| Canonical SMILES |
CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CCC(CC3)SCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)C
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| InChI |
1S/C26H36N12O5S/c1-26(2)18(33-15-20(36-26)34-25(28)35-22(15)41)23(42)29-5-8-37-6-3-12(4-7-37)44-9-13-16(39)17(40)24(43-13)38-11-32-14-19(27)30-10-31-21(14)38/h10-13,16-17,24,39-40H,3-9H2,1-2H3,(H,29,42)(H2,27,30,31)(H4,28,34,35,36,41)/t13-,16-,17-,24-/m1/s1
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| InChIKey |
LXHMIPYFQUZUMS-FUKGTJLDSA-N
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| PubChem Compound ID | ||||
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