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BioLiP

PDB CCD ID: N6D
Number of entries in BioLiP: 1
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:
SoftwareSMILES
CACTVS 3.385COCc1cccc(NC(=O)Nc2cc(C)on2)c1
ACDLabs 12.01N(C(Nc1cccc(COC)c1)=O)c2cc(C)on2
OpenEye OEToolkits 2.0.6Cc1cc(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, Peter L 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).

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