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BioLiP

PDB CCD ID: 0YE
Number of entries in BioLiP: 0
Chemical formula: C12 H11 N O3
InChI: InChI=1S/C12H11NO3/c14-12(15)7-6-10-8-11(13-16-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChIKey: QIBVLSLOHQJUNF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)CCc1onc(c1)c2ccccc2
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2cc(on2)CCC(=O)O
ACDLabs 12.01O=C(O)CCc2onc(c1ccccc1)c2
Name:3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
ChEMBL: CHEMBL2442685
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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