BioLiP

PDB

BioLiP

PDB CCD ID:

FJ4

Number of entries in BioLiP:

Chemical formula:

C15 H13 Cl O4

InChI:

InChI=1S/C15H13ClO4/c1-20-10-4-2-9(3-5-10)6-13(17)11-7-12(16)15(19)8-14(11)18/h2-5,7-8,18-19H,6H2,1H3

InChIKey:

JBCBFFFUINBPCU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(CC(=O)c2cc(Cl)c(O)cc2O)cc1
OpenEye OEToolkits 1.7.6	COc1ccc(cc1)CC(=O)c2cc(c(cc2O)O)Cl
ACDLabs 12.01	Clc1cc(c(O)cc1O)C(=O)Cc2ccc(OC)cc2

Name:

1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone

ZINC:

ZINC000034442025

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).