BioLiP

PDB

BioLiP

PDB CCD ID:

PQX

Number of entries in BioLiP:

Chemical formula:

C18 H21 N O2

InChI:

InChI=1S/C18H21NO2/c1-13(19-11-9-15(10-12-19)18(20)21)16-8-4-6-14-5-2-3-7-17(14)16/h2-8,13,15H,9-12H2,1H3,(H,20,21)/t13-/m1/s1

InChIKey:

KGMWLBRRSONKQK-CYBMUJFWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)O
CACTVS 3.385	C[CH](N1CCC(CC1)C(O)=O)c2cccc3ccccc23
CACTVS 3.385	C[C@@H](N1CCC(CC1)C(O)=O)c2cccc3ccccc23
OpenEye OEToolkits 2.0.7	C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)O

Name:

1-[(1R)-1-naphthalen-1-ylethyl]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).