BioLiP

PDB

BioLiP

PDB CCD ID:

PRN

Number of entries in BioLiP:

Chemical formula:

C10 H13 N4 O6 P

InChI:

InChI=1S/C10H13N4O6P/c15-7-1-9(20-8(7)3-19-21(16,17)18)14-5-13-6-2-11-4-12-10(6)14/h2,4-5,7-9,15H,1,3H2,(H2,16,17,18)/t7-,8+,9+/m0/s1

InChIKey:

OQIJGDJDESHELC-DJLDLDEBSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3cncnc23
ACDLabs 10.04	O=P(O)(O)OCC3OC(n2cnc1cncnc12)CC3O
OpenEye OEToolkits 1.5.0	c1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
CACTVS 3.341	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3cncnc23
OpenEye OEToolkits 1.5.0	c1c2c(ncn1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O

Name:

PURINE 2'-DEOXYRIBO-5'-MONOPHOSPHATE

ZINC:

ZINC000033422238

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).