BioLiP

PDB

BioLiP

PDB CCD ID:

43J

Number of entries in BioLiP:

Chemical formula:

C17 H14 N2 O2

InChI:

InChI=1S/C17H14N2O2/c1-19-16(18-11-15(20)17(19)21)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,20H,1H3

InChIKey:

XFQLJHLLJPLAPL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1C(=O)C(=CN=C1c2cccc(c2)c3ccccc3)O
OpenEye OEToolkits 1.9.2	CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3
ACDLabs 12.01	O=C3C(O)=CN=C(c2cccc(c1ccccc1)c2)N3C

Name:

2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one

ChEMBL:

CHEMBL3425743

ZINC:

ZINC000148067150

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).