BioLiP

PDB

BioLiP

PDB CCD ID:

T63

Number of entries in BioLiP:

Chemical formula:

C10 H8 N2 O

InChI:

InChI=1S/C10H8N2O/c13-9-6-11-10(12-7-9)8-4-2-1-3-5-8/h1-7,13H

InChIKey:

VXOJYMHSOARYSV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ncc(cn2)O
CACTVS 3.385	Oc1cnc(nc1)c2ccccc2
ACDLabs 12.01	Oc1cnc(nc1)c1ccccc1

Name:

2-phenylpyrimidin-5-ol

ZINC:

ZINC000020283025

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).