BioLiP

PDB

BioLiP

PDB CCD ID:

PUR

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c2c(ncn1)n(c[nH+]2)C3C(C(C(O3)CO)O)O
CACTVS 3.341	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c[nH+]c3cncnc23
OpenEye OEToolkits 1.5.0	c1c2c(ncn1)n(c[nH+]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
CACTVS 3.341	OC[CH]1O[CH]([CH](O)[CH]1O)n2c[nH+]c3cncnc23
ACDLabs 10.04	OCC3OC(n2c[nH+]c1cncnc12)C(O)C3O

Name:

PURINE RIBOSIDE

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

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).