BioLiP

PDB

BioLiP

PDB CCD ID:

IAY

Number of entries in BioLiP:

Chemical formula:

C21 H22 N4 O

InChI:

InChI=1S/C21H22N4O/c1-24-16-19(17-6-3-2-4-7-17)23-20(24)11-10-18-8-5-9-21(22-18)25-12-14-26-15-13-25/h2-11,16H,12-15H2,1H3/b11-10+

InChIKey:

PFCAQBAINVKJJS-ZHACJKMWSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	Cn1cc(nc1C=Cc2cccc(n2)N3CCOCC3)c4ccccc4
CACTVS 3.385	Cn1cc(nc1\C=C\c2cccc(n2)N3CCOCC3)c4ccccc4
OpenEye OEToolkits 3.1.0.0	Cn1cc(nc1/C=C/c2cccc(n2)N3CCOCC3)c4ccccc4
ACDLabs 14.52	Cn1cc(nc1/C=C/c1nc(ccc1)N1CCOCC1)c1ccccc1

Name:

4-{6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]pyridin-2-yl}morpholine

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).