BioLiP

PDB

BioLiP

PDB CCD ID:

NMU

Number of entries in BioLiP:

Chemical formula:

C2 H6 N2 O

InChI:

InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)

InChIKey:

XGEGHDBEHXKFPX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CNC(=O)N
ACDLabs 10.04	O=C(N)NC
CACTVS 3.341	CNC(N)=O

Name:

N-METHYLUREA

ZINC:

ZINC000005209166

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).