BioLiP

PDB

BioLiP

PDB CCD ID:

DRP

Number of entries in BioLiP:

Chemical formula:

C10 H14 N O6 P

InChI:

InChI=1S/C10H14NO6P/c12-8-4-9(7-2-1-3-11-5-7)17-10(8)6-16-18(13,14)15/h1-3,5,8-10,12H,4,6H2,(H2,13,14,15)/t8-,9+,10+/m0/s1

InChIKey:

PPHVLYPPVUJOAT-IVZWLZJFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(cnc1)C2CC(C(O2)COP(=O)(O)O)O
CACTVS 3.341	O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)c2cccnc2
OpenEye OEToolkits 1.5.0	c1cc(cnc1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
CACTVS 3.341	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)c2cccnc2
ACDLabs 10.04	O=P(OCC2OC(c1cccnc1)CC2O)(O)O

Name:

2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-MONOPHOSPHATE

ZINC:

ZINC000058632240

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).