BioLiP

PDB

BioLiP

PDB CCD ID:

VD6

Number of entries in BioLiP:

Chemical formula:

C13 H17 N O2

InChI:

InChI=1S/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)/t12-/m1/s1

InChIKey:

FEUCBQVXYVZGCM-GFCCVEGCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1CCCCN1Cc2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CN2CCCCC2C(=O)O
CACTVS 3.385	OC(=O)[C@H]1CCCCN1Cc2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CN2CCCC[C@@H]2C(=O)O
ACDLabs 12.01	O=C(O)C1CCCCN1Cc1ccccc1

Name:

(2R)-1-benzylpiperidine-2-carboxylic acid

ZINC:

ZINC000000041053

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).