BioLiP

PDB

BioLiP

PDB CCD ID:

N6D

Number of entries in BioLiP:

Chemical formula:

C13 H15 N3 O3

InChI:

InChI=1S/C13H15N3O3/c1-9-6-12(16-19-9)15-13(17)14-11-5-3-4-10(7-11)8-18-2/h3-7H,8H2,1-2H3,(H2,14,15,16,17)

InChIKey:

YVOJGWYXMJROLU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COCc1cccc(NC(=O)Nc2cc(C)on2)c1
ACDLabs 12.01	N(C(Nc1cccc(COC)c1)=O)c2cc(C)on2
OpenEye OEToolkits 2.0.6	Cc1cc(no1)NC(=O)Nc2cccc(c2)COC

Name:

N-[3-(methoxymethyl)phenyl]-N'-(5-methyl-1,2-oxazol-3-yl)urea

ZINC:

ZINC000024741535

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).