Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LED53X
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| Ligand Name |
3-[[3-[6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]propylamino]methyl]benzenesulfinic acid
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| Structure |
 |
Download2D MOL
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| Formula |
C22H21IN6O4S2
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| Canonical SMILES |
C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N=CN=C4N3CCCNCC5=CC(=CC=C5)S(=O)O)N
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| InChI |
1S/C22H21IN6O4S2/c23-15-8-16-17(33-12-32-16)9-18(15)34-22-28-19-20(24)26-11-27-21(19)29(22)6-2-5-25-10-13-3-1-4-14(7-13)35(30)31/h1,3-4,7-9,11,25H,2,5-6,10,12H2,(H,30,31)(H2,24,26,27)
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| InChIKey |
VMPXUKCASNDBMB-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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