Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LE3LR1
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| Ligand Name |
4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
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| Synonyms |
CHEMBL462871; adenosine-derived inhibitor, 15; BDBM32381; adenosine-derived inhibitor (Grp78), 14; Q27453805; 5'-O-(4-cyanobenzyl)-8-[(quinolin-6-ylmethyl)amino]adenosine; 3GO; 4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
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| Structure |
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Download2D MOL |
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| Formula |
C28H26N8O4
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| Canonical SMILES |
C1=CC2=C(C=CC(=C2)CNC3=NC4=C(N=CN=C4N3C5C(C(C(O5)COCC6=CC=C(C=C6)C#N)O)O)N)N=C1
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| InChI |
1S/C28H26N8O4/c29-11-16-3-5-17(6-4-16)13-39-14-21-23(37)24(38)27(40-21)36-26-22(25(30)33-15-34-26)35-28(36)32-12-18-7-8-20-19(10-18)2-1-9-31-20/h1-10,15,21,23-24,27,37-38H,12-14H2,(H,32,35)(H2,30,33,34)/t21-,23-,24-,27-/m1/s1
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| InChIKey |
DKJUQSPQYGQPBH-VBHAUSMQSA-N
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| PubChem Compound ID | ||||
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