BioLiP

PDB

BioLiP

PDB CCD ID:

A1CFV

Number of entries in BioLiP:

Chemical formula:

C8 H12 N2 O2

InChI:

InChI=1S/C8H12N2O2/c1-9-5-6-3-4-7(12-6)8(11)10-2/h3-4,9H,5H2,1-2H3,(H,10,11)

InChIKey:

NMODYIFATKWVQB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52 OpenEye OEToolkits 3.1.0.0	CNCc1ccc(o1)C(=O)NC
CACTVS 3.385	CNCc1oc(cc1)C(=O)NC

Name:

N-methyl-5-[(methylamino)methyl]furan-2-carboxamide

ChEMBL:

CHEMBL4534453

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).