BioLiP

PDB

BioLiP

PDB CCD ID:

Q40

Number of entries in BioLiP:

Chemical formula:

C14 H20 N2 O

InChI:

InChI=1S/C14H20N2O/c15-14(17)13-7-10-16(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,15,17)

InChIKey:

UCBQQQVQLFPZOE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NC(=O)C1CCN(CCc2ccccc2)CC1
CACTVS 3.385	NC(=O)C1CCN(CC1)CCc2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CCN2CCC(CC2)C(=O)N

Name:

1-(2-phenylethyl)piperidine-4-carboxamide

ZINC:

ZINC000000757318

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).