SEQ2FUN

BioLiP

PDB CCD ID: 5X0
Number of entries in BioLiP: 2
Chemical formula: C21 H24 N2 O5
InChI: InChI=1S/C21H24N2O5/c1-22-21(25)18-13-17(7-8-19(18)28-16-9-11-26-12-10-16)27-14-20(24)23-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,22,25)(H,23,24)
InChIKey: OLSMYKUQDJESEU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CNC(=O)c1cc(ccc1OC2CCOCC2)OCC(=O)Nc3ccccc3
CACTVS 3.385CNC(=O)c1cc(OCC(=O)Nc2ccccc2)ccc1OC3CCOCC3
Name:~{N}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide
ChEMBL: CHEMBL3775323
ZINC: ZINC000263620845
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).