BioLiP

PDB

BioLiP

PDB CCD ID:

A1ENC

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O

InChI:

InChI=1S/C11H12N2O/c1-12-7-9-4-5-10(13-8-9)11-3-2-6-14-11/h2-6,8,12H,7H2,1H3

InChIKey:

UDZJNNURWGNFCN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNCc1ccc(nc1)c2occc2
OpenEye OEToolkits 2.0.7	CNCc1ccc(nc1)c2ccco2

Name:

1-[6-(furan-2-yl)pyridin-3-yl]-~{N}-methyl-methanamine

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).