BioLiP

PDB

BioLiP

PDB CCD ID:

NU4

Number of entries in BioLiP:

Chemical formula:

C11 H10 N2 O2

InChI:

InChI=1S/C11H10N2O2/c1-8-10(4-7-15-8)11(14)13-9-2-5-12-6-3-9/h2-7H,1H3,(H,12,13,14)

InChIKey:

YQBDLYFUZJNLDH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1occc1C(=O)Nc2ccncc2
ACDLabs 12.01	N(c1ccncc1)C(c2ccoc2C)=O
OpenEye OEToolkits 2.0.6	Cc1c(cco1)C(=O)Nc2ccncc2

Name:

2-methyl-N-(pyridin-4-yl)furan-3-carboxamide

ZINC:

ZINC000001516906

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).