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BioLiP Library

PDB CCD ID: PUR
Number of entries in BioLiP: 2
Chemical formula: C10 H13 N4 O4
InChI: InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/p+1/t6-,7-,8-,10-/m1/s1
InChIKey: MRWXACSTFXYYMV-FDDDBJFASA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c2c(ncn1)n(c[nH+]2)C3C(C(C(O3)CO)O)O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c[nH+]c3cncnc23
OpenEye OEToolkits 1.5.0c1c2c(ncn1)n(c[nH+]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)n2c[nH+]c3cncnc23
ACDLabs 10.04OCC3OC(n2c[nH+]c1cncnc12)C(O)C3O
Name:PURINE RIBOSIDE
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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