Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3G9QX
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| Ligand Name |
(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Synonyms |
(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol; adenosine-derived inhibitor, 7; CHEMBL516357; SCHEMBL21067847; BDBM32373; DB07045; 8-[(3,4-dichlorobenzyl)amino]adenosine; adenosine-derived inhibitor (Grp78), 8; Q27095960; 3BK
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| Structure |
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Download2D MOL |
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| Formula |
C17H18Cl2N6O4
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| Canonical SMILES |
C1=CC(=C(C=C1CNC2=NC3=C(N=CN=C3N2C4C(C(C(O4)CO)O)O)N)Cl)Cl
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| InChI |
1S/C17H18Cl2N6O4/c18-8-2-1-7(3-9(8)19)4-21-17-24-11-14(20)22-6-23-15(11)25(17)16-13(28)12(27)10(5-26)29-16/h1-3,6,10,12-13,16,26-28H,4-5H2,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1
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| InChIKey |
VBJKVZXRYLCYGQ-XNIJJKJLSA-N
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| PubChem Compound ID | ||||
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