BioLiP

PDB

BioLiP

PDB CCD ID:

JPL

Number of entries in BioLiP:

Chemical formula:

C19 H20 Cl2 O2

InChI:

InChI=1S/C19H20Cl2O2/c20-15-7-9-18(16(21)12-15)23-19-8-6-14(11-17(19)22)10-13-4-2-1-3-5-13/h6-9,11-13,22H,1-5,10H2

InChIKey:

AUJNRGORQMIJCP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cc(CC2CCCCC2)ccc1Oc3ccc(Cl)cc3Cl
OpenEye OEToolkits 1.7.6	c1cc(c(cc1CC2CCCCC2)O)Oc3ccc(cc3Cl)Cl
ACDLabs 12.01	c3(O)c(Oc1c(Cl)cc(cc1)Cl)ccc(CC2CCCCC2)c3

Name:

5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol

ChEMBL:

CHEMBL428260

ZINC:

ZINC000029061284

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).