SEQ2FUN

BioLiP

PDB CCD ID: WMV
Number of entries in BioLiP: 1
Chemical formula: C14 H22 N2 O2
InChI: InChI=1S/C14H22N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,15,17)
InChIKey: GQYKDIBHTYIVTB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1onc(C)c1C(=O)NCCC2CCCCC2
ACDLabs 12.01C2(CCNC(c1c(C)noc1C)=O)CCCCC2
OpenEye OEToolkits 2.0.7Cc1c(c(on1)C)C(=O)NCCC2CCCCC2
Name:N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
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).