Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LK61IR
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| Ligand Name |
[(1R,3S,5S,6R,8R,9'S)-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-5'-ethoxyspiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methyl phosphate
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| Structure |
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Download2D MOL
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| Formula |
C20H23BN6O9P-3
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| Canonical SMILES |
[B-]12(C3=C(C=CC=C3OCC)C(O1)CN)OC4C(OC(C4O2)N5C=NC6=C(N=CN=C65)N)COP(=O)([O-])[O-]
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| InChI |
1S/C20H25BN6O9P/c1-2-31-11-5-3-4-10-12(6-22)34-21(14(10)11)35-16-13(7-32-37(28,29)30)33-20(17(16)36-21)27-9-26-15-18(23)24-8-25-19(15)27/h3-5,8-9,12-13,16-17,20H,2,6-7,22H2,1H3,(H2,23,24,25)(H2,28,29,30)/q-1/p-2/t12-,13-,16-,17-,20-,21+/m1/s1
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| InChIKey |
WLOBNXOMDQETEC-IMBSHPNCSA-L
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| PubChem Compound ID | ||||
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