BioLiP

PDB

BioLiP

PDB CCD ID:

A1EFC

Number of entries in BioLiP:

Chemical formula:

C11 H10 N2 O

InChI:

InChI=1S/C11H10N2O/c14-7-9-2-1-3-10(4-9)11-5-12-8-13-6-11/h1-6,8,14H,7H2

InChIKey:

PUCNXFUXTNDXKP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)c2cncnc2)CO
CACTVS 3.385	OCc1cccc(c1)c2cncnc2

Name:

(3-pyrimidin-5-ylphenyl)methanol

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).