BioLiP

PDB

BioLiP

PDB CCD ID:

JFI

Number of entries in BioLiP:

Chemical formula:

C19 H23 N3 O2

InChI:

InChI=1S/C19H23N3O2/c23-19(21-9-10-22-11-13-24-14-12-22)18-3-1-16(2-4-18)15-17-5-7-20-8-6-17/h1-8H,9-15H2,(H,21,23)

InChIKey:

ZOOXQEDPDUAHGO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1Cc2ccncc2)C(=O)NCCN3CCOCC3
CACTVS 3.385	O=C(NCCN1CCOCC1)c2ccc(Cc3ccncc3)cc2

Name:

~{N}-(2-morpholin-4-ylethyl)-4-(pyridin-4-ylmethyl)benzamide

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).