BioLiP

PDB

BioLiP

PDB CCD ID:

N2Y

Number of entries in BioLiP:

Chemical formula:

C9 H11 Cl N4

InChI:

InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)

InChIKey:

UEQZFAGVRGWPDK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc(CN2CCNC2=N)cn1
OpenEye OEToolkits 1.7.6	[H]/N=C\1/NCCN1Cc2ccc(nc2)Cl
ACDLabs 12.01	Clc1ncc(cc1)CN2C(=[N@H])NCC2
OpenEye OEToolkits 1.7.6	c1cc(ncc1CN2CCNC2=N)Cl

Name:

(2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine

ChEMBL:

CHEMBL309804

ZINC:

ZINC000013474371

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).