BioLiP

PDB

BioLiP

PDB CCD ID:

CEE

Number of entries in BioLiP:

Chemical formula:

C8 H9 Cl

InChI:

InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey:

MNNZINNZIQVULG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CCCl
ACDLabs 10.04 CACTVS 3.341	ClCCc1ccccc1

Name:

(2-chloroethyl)benzene

ZINC:

ZINC000001641679

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).