BioLiP

PDB

BioLiP

PDB CCD ID:

WUJ

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O2

InChI:

InChI=1S/C6H8N2O2/c7-6(9)8-4-5-2-1-3-10-5/h1-3H,4H2,(H3,7,8,9)

InChIKey:

AUHRREWMYVOMRT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)NCc1occc1
ACDLabs 12.01	NC(NCc1ccco1)=O
OpenEye OEToolkits 2.0.7	c1cc(oc1)CNC(=O)N

Name:

N-[(furan-2-yl)methyl]urea

ZINC:

ZINC000000162619

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).