BioLiP

PDB

BioLiP

PDB CCD ID:

A1IB1

Number of entries in BioLiP:

Chemical formula:

C12 H17 N

InChI:

InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2

InChIKey:

ABGXADJDTPFFSZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CC2CCNCC2
CACTVS 3.385	C1CC(CCN1)Cc2ccccc2

Name:

4-(phenylmethyl)piperidine

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).