BioLiP

PDB

BioLiP

PDB CCD ID:

A1I2U

Number of entries in BioLiP:

Chemical formula:

C7 H14 N2 O

InChI:

InChI=1S/C7H14N2O/c1-8-7(10)6-4-2-3-5-9-6/h6,9H,2-5H2,1H3,(H,8,10)/t6-/m0/s1

InChIKey:

OHSDIYRKGMNZBC-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CNC(=O)[C@@H]1CCCCN1
OpenEye OEToolkits 2.0.7	CNC(=O)C1CCCCN1
CACTVS 3.385	CNC(=O)[CH]1CCCCN1

Name:

(2~{S})-~{N}-methylpiperidine-2-carboxamide

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).