SEQ2FUN

BioLiP

PDB CCD ID: MOK
Number of entries in BioLiP: 2
Chemical formula: C11 H9 N O3
InChI: InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKey: PENHKTNQUJMHIR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c2c(onc2c1ccccc1)C
OpenEye OEToolkits 1.7.6Cc1c(c(no1)c2ccccc2)C(=O)O
CACTVS 3.370Cc1onc(c2ccccc2)c1C(O)=O
Name:5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
ZINC: ZINC000000158490
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).