BioLiP

PDB

BioLiP

PDB CCD ID:

PR5

Number of entries in BioLiP:

Chemical formula:

C10 H13 N4 O7 P

InChI:

InChI=1/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1/f/h17-18H

InChIKey:

MCWDCZIDTUQRHK-DUAZENTCDO

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
CACTVS 3.341	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3cncnc23
OpenEye OEToolkits 1.5.0	c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O
CACTVS 3.341	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3cncnc23
ACDLabs 10.04	O=P(O)(O)OCC3OC(n2cnc1cncnc12)C(O)C3O

Name:

PURINE RIBOSIDE-5'-MONOPHOSPHATE

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).