Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L2GBW6
|
|||
| Ligand Name |
PSB-12379 disodium
|
|||
| Synonyms |
PSB-12379; 1802226-78-3; PSB-12379 disodium; CHEMBL4755577; N6-benzyl-(alpha,beta)-methylene-ADP; [[(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid; SCHEMBL23431307; BDBM50546335; CS-7892; HY-100747; F85579; (1-Deoxy-1-(6-benzylamino-9H-purine-9-yl)-beta-D-ribofuranose-5-O-yl)phosphonylmethylphosphonic acid
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C18H23N5O9P2
|
|||
| Canonical SMILES |
C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(CP(=O)(O)O)O)O)O
|
|||
| InChI |
1S/C18H23N5O9P2/c24-14-12(7-31-34(29,30)10-33(26,27)28)32-18(15(14)25)23-9-22-13-16(20-8-21-17(13)23)19-6-11-4-2-1-3-5-11/h1-5,8-9,12,14-15,18,24-25H,6-7,10H2,(H,29,30)(H,19,20,21)(H2,26,27,28)/t12-,14-,15-,18-/m1/s1
|
|||
| InChIKey |
DMBYYIJBPDWQFF-SCFUHWHPSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.