BioLiP

PDB

BioLiP

PDB CCD ID:

8U7

Number of entries in BioLiP:

Chemical formula:

C14 H21 N3 O

InChI:

InChI=1S/C14H21N3O/c1-15-14(18)16-13-7-9-17(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H2,15,16,18)

InChIKey:

YCESGSGSKWSGFX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CNC(=O)NC1CCN(CC1)Cc2ccccc2
ACDLabs 12.01	N(C)C(NC1CCN(CC1)Cc2ccccc2)=O

Name:

N-(1-benzylpiperidin-4-yl)-N'-methylurea

ZINC:

ZINC000032843700

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).