BioLiP

PDB

BioLiP

PDB CCD ID:

WCW

Number of entries in BioLiP:

Chemical formula:

C12 H16 N2 O2

InChI:

InChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16)

InChIKey:

FPGAOFXYANTSRQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)N2CCC(CC2)(C(=O)O)N
CACTVS 3.385	NC1(CCN(CC1)c2ccccc2)C(O)=O

Name:

4-azanyl-1-phenyl-piperidine-4-carboxylic acid

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).