BioLiP

PDB

BioLiP

PDB CCD ID:

O9B

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O2

InChI:

InChI=1S/C7H13NO2/c1-8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m1/s1

InChIKey:

BPSLZWSRHTULGU-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1CCCCC1C(=O)O
CACTVS 3.385	CN1CCCC[C@@H]1C(O)=O
OpenEye OEToolkits 2.0.7	CN1CCCC[C@@H]1C(=O)O
CACTVS 3.385	CN1CCCC[CH]1C(O)=O

Name:

(2~{R})-1-methylpiperidine-2-carboxylic acid

ZINC:

ZINC000001621096

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).