Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LLA76X
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| Ligand Name |
5'-{[2-({n-[(2-Amino-7,7-Dimethyl-4-Oxo-3,4,7,8-Tetrahydropteridin-6-Yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-Deoxyadenosine
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| Synonyms |
CHEMBL2046607; 5'-{[2-({n-[(2-Amino-7,7-Dimethyl-4-Oxo-3,4,7,8-Tetrahydropteridin-6-Yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-Deoxyadenosine; 4pzv; BDBM50485340; Q27461623
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| Structure |
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Download2D MOL |
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| Formula |
C23H30N12O8S
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| Canonical SMILES |
CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)NCCS(=O)(=O)CC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)C
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| InChI |
1S/C23H30N12O8S/c1-23(2)15(31-12-17(34-23)32-22(25)33-19(12)39)20(40)27-5-10(36)26-3-4-44(41,42)6-9-13(37)14(38)21(43-9)35-8-30-11-16(24)28-7-29-18(11)35/h7-9,13-14,21,37-38H,3-6H2,1-2H3,(H,26,36)(H,27,40)(H2,24,28,29)(H4,25,32,33,34,39)/t9-,13-,14-,21-/m1/s1
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| InChIKey |
QCWCABDSXQYDST-GWKRVTOESA-N
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| PubChem Compound ID | ||||
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