SEQ2FUN

BioLiP

PDB CCD ID: A9O
Number of entries in BioLiP: 3
Chemical formula: C12 H13 N O
InChI: InChI=1S/C12H13NO/c1-3-11-12(9(2)13-14-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKey: RWCFZRPXMBQSOA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCc1onc(C)c1c2ccccc2
OpenEye OEToolkits 1.9.2CCc1c(c(no1)C)c2ccccc2
ACDLabs 12.01n2oc(c(c1ccccc1)c2C)CC
Name:5-ETHYL-3-METHYL-4-PHENYL-1,2-OXAZOLE
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).