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BioLiP

PDB CCD ID: H47
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2 O3
InChI: InChI=1S/C12H12N2O3/c1-16-10-4-2-3-9(7-10)8-12(15)13-11-5-6-17-14-11/h2-7H,8H2,1H3,(H,13,14,15)
InChIKey: LFZVRGLOBRIGDU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(C(Cc1cccc(OC)c1)=O)c2ccon2
CACTVS 3.385COc1cccc(CC(=O)Nc2ccon2)c1
OpenEye OEToolkits 2.0.6COc1cccc(c1)CC(=O)Nc2ccon2
Name:2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide
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)(download the PDF file).
  • 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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