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BioLiP

PDB CCD ID: JGA
Number of entries in BioLiP: 6
Chemical formula: C7 H11 N3 O2
InChI: InChI=1S/C7H11N3O2/c1-3-8-7(11)9-6-4-5(2)12-10-6/h4H,3H2,1-2H3,(H2,8,9,10,11)
InChIKey: OLTOJZGRSVNYRB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCNC(=O)Nc1cc(on1)C
ACDLabs 12.01CCNC(=O)Nc1noc(c1)C
CACTVS 3.385CCNC(=O)Nc1cc(C)on1
Name:N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea
ZINC: ZINC000001452383
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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