Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LHWG90
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| Ligand Name |
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-[(1S,2S)-8,9-dimethyl-15,17-dioxo-2-phenyl-5,12,14,16-tetrazatetracyclo[11.4.0.01,5.06,11]heptadeca-3,6(11),7,9,13-pentaen-12-yl]-2,3,4-trihydroxypentyl] hydrogen phosphate
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| Structure |
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Download2D MOL
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| Formula |
C36H41N9O15P2
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| Canonical SMILES |
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C34N2C=CC4C5=CC=CC=C5)CC(C(C(COP(=O)(O)OP(=O)(O)OCC6C(C(C(O6)N7C=NC8=C(N=CN=C87)N)O)O)O)O)O
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| InChI |
1S/C36H41N9O15P2/c1-17-10-21-22(11-18(17)2)45-9-8-20(19-6-4-3-5-7-19)36(45)33(41-35(52)42-34(36)51)43(21)12-23(46)27(48)24(47)13-57-61(53,54)60-62(55,56)58-14-25-28(49)29(50)32(59-25)44-16-40-26-30(37)38-15-39-31(26)44/h3-11,15-16,20,23-25,27-29,32,46-50H,12-14H2,1-2H3,(H,53,54)(H,55,56)(H2,37,38,39)(H,42,51,52)/t20-,23-,24+,25+,27-,28+,29+,32+,36-/m0/s1
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| InChIKey |
LTYXJNFFNLDHFB-VXYXFEBYSA-N
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| PubChem Compound ID | ||||
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