SEQ2FUN

BioLiP

PDB CCD ID: A1CYB
Number of entries in BioLiP: 2
Chemical formula: C11 H15 N3 O
InChI: InChI=1S/C11H15N3O/c1-4-11-10(9(3)15-13-11)7-14-6-5-8(2)12-14/h5-6H,4,7H2,1-3H3
InChIKey: ONVCGJKKLHRQQB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CCc1c(c(on1)C)Cn2ccc(n2)C
ACDLabs 14.52CCc1noc(C)c1Cn1ccc(C)n1
CACTVS 3.385CCc1noc(C)c1Cn2ccc(C)n2
Name:3-ethyl-5-methyl-4-[(3-methyl-1H-pyrazol-1-yl)methyl]-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).