Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LK60TS
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| Ligand Name |
[(1R,3S,5S,6R,8R,9'S)-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-chloro-5'-ethoxyspiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-6-yl]methyl phosphate
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| Structure |
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Download2D MOL
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| Formula |
C20H22BClN6O9P-3
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| Canonical SMILES |
[B-]12(C3=C(C=CC(=C3C(O1)CN)Cl)OCC)OC4C(OC(C4O2)N5C=NC6=C(N=CN=C65)N)COP(=O)([O-])[O-]
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| InChI |
1S/C20H24BClN6O9P/c1-2-32-10-4-3-9(22)13-11(5-23)35-21(14(10)13)36-16-12(6-33-38(29,30)31)34-20(17(16)37-21)28-8-27-15-18(24)25-7-26-19(15)28/h3-4,7-8,11-12,16-17,20H,2,5-6,23H2,1H3,(H2,24,25,26)(H2,29,30,31)/q-1/p-2/t11-,12-,16-,17-,20-,21+/m1/s1
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| InChIKey |
QVHGEDIRODVXDV-RIMGRJFKSA-L
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| PubChem Compound ID | ||||
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