BioLiP

PDB

BioLiP

PDB CCD ID:

JPA

Number of entries in BioLiP:

Chemical formula:

C19 H14 Cl2 O2

InChI:

InChI=1S/C19H14Cl2O2/c1-12-4-2-3-5-15(12)13-6-8-19(17(22)10-13)23-18-9-7-14(20)11-16(18)21/h2-11,22H,1H3

InChIKey:

VDWAWADVXJMBAA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
CACTVS 3.341	Cc1ccccc1c2ccc(Oc3ccc(Cl)cc3Cl)c(O)c2
ACDLabs 10.04	Clc3cc(Cl)ccc3Oc2ccc(c1ccccc1C)cc2O

Name:

4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL

ChEMBL:

CHEMBL261708

ZINC:

ZINC000016052044

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).