BioLiP

PDB

BioLiP

PDB CCD ID:

V9P

Number of entries in BioLiP:

Chemical formula:

C5 H7 Cl N2

InChI:

InChI=1S/C5H7ClN2/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3H2

InChIKey:

WQRYDDUXWFSPQG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cn(cn1)CCCl
ACDLabs 12.01 CACTVS 3.385	ClCCn1ccnc1

Name:

1-(2-chloroethyl)-1H-imidazole

ZINC:

ZINC000002569851

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).