BioLiP

PDB

BioLiP

PDB CCD ID:

FZ3

Number of entries in BioLiP:

Chemical formula:

C12 H13 Cl N2

InChI:

InChI=1S/C12H13ClN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2

InChIKey:

CLJJKXWBLJQDDT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1CCCn2ccnc2)Cl
CACTVS 3.385	Clc1ccc(CCCn2ccnc2)cc1

Name:

1-[3-(4-chlorophenyl)propyl]imidazole

ChEMBL:

CHEMBL213493

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).