BioLiP

PDB

BioLiP

PDB CCD ID:

KJG

Number of entries in BioLiP:

Chemical formula:

C18 H12 O4

InChI:

InChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H

InChIKey:

HZKFHDXTSAYOSN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C2=C(C(=O)C(=C(C2=O)O)c3ccccc3)O
CACTVS 3.385	OC1=C(C(=O)C(=C(C1=O)c2ccccc2)O)c3ccccc3
ACDLabs 12.01	O=C1C(=C(O)C(=O)C(=C1O)c2ccccc2)c3ccccc3

Name:

2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione

ChEMBL:

CHEMBL480678

ZINC:

ZINC000001676595

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).