Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LLE29D
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| Ligand Name |
5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine
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| Synonyms |
5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine; CHEMBL4783114; SCHEMBL21221494; H73
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| Structure |
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Download2D MOL |
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| Formula |
C27H36N12O7S
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| Canonical SMILES |
CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CCC(CC3C(=O)O)SCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)C
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| InChI |
1S/C27H36N12O7S/c1-27(2)18(34-15-20(37-27)35-26(29)36-22(15)42)23(43)30-4-6-38-5-3-11(7-12(38)25(44)45)47-8-13-16(40)17(41)24(46-13)39-10-33-14-19(28)31-9-32-21(14)39/h9-13,16-17,24,40-41H,3-8H2,1-2H3,(H,30,43)(H,44,45)(H2,28,31,32)(H4,29,35,36,37,42)/t11-,12-,13-,16-,17-,24-/m1/s1
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| InChIKey |
DFLAELLQWVMGCU-NERDUYAPSA-N
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| PubChem Compound ID | ||||
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