SEQ2FUN

BioLiP

PDB CCD ID: B0A
Number of entries in BioLiP: 1
Chemical formula: C14 H19 N O2
InChI: InChI=1S/C14H19NO2/c16-14(15-12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16)
InChIKey: CQWWLWGATIFQLU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)OCC(=O)NC2CCCCC2
CACTVS 3.385O=C(COc1ccccc1)NC2CCCCC2
Name:~{N}-cyclohexyl-2-phenoxy-ethanamide
ChEMBL: CHEMBL1460867
ZINC: ZINC000000357470
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).