Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LK71NP
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| Ligand Name |
[(3aR,4R,6R,6aS)-2-[(1S)-2-amino-1-(2-bromo-5-ethoxyphenyl)ethoxy]-4-(6-aminopurin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaborol-6-yl]methyl dihydrogen phosphate
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| Structure |
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Download2D MOL
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| Formula |
C20H25BBrN6O9P
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| Canonical SMILES |
B1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)N)COP(=O)(O)O)OC(CN)C5=C(C=CC(=C5)OCC)Br
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| InChI |
1S/C20H25BBrN6O9P/c1-2-32-10-3-4-12(22)11(5-10)13(6-23)35-21-36-16-14(7-33-38(29,30)31)34-20(17(16)37-21)28-9-27-15-18(24)25-8-26-19(15)28/h3-5,8-9,13-14,16-17,20H,2,6-7,23H2,1H3,(H2,24,25,26)(H2,29,30,31)/t13-,14-,16-,17-,20-/m1/s1
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| InChIKey |
SFZDVNHRQSVZOB-CDUMDVBJSA-N
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| PubChem Compound ID | ||||
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