BioLiP

PDB

BioLiP

PDB CCD ID:

WNO

Number of entries in BioLiP:

Chemical formula:

C15 H18 N4

InChI:

InChI=1S/C15H18N4/c1-2-19-11-10-17-15(19)14-8-5-7-13(18-14)12-6-3-4-9-16-12/h3-9,15,17H,2,10-11H2,1H3/t15-/m1/s1

InChIKey:

KCAOHIFEVJIEQE-OAHLLOKOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCN1CCNC1c2cccc(n2)c3ccccn3
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCN1CCN[C@H]1c2cccc(n2)c3ccccn3
CACTVS 3.385	CCN1CCN[CH]1c2cccc(n2)c3ccccn3

Name:

2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine

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).