BioLiP

PDB

BioLiP

PDB CCD ID:

A1CGN

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O

InChI:

InChI=1S/C6H12N2O/c1-2-8-6(9)5-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9)

InChIKey:

RAHNPTRKBMUQRM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52 CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	CCNC(=O)C1CNC1

Name:

N-ethylazetidine-3-carboxamide

ChEMBL:

CHEMBL4578649

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).