SEQ2FUN

BioLiP

PDB CCD ID: NZ4
Number of entries in BioLiP: 4
Chemical formula: C13 H16 N2 O3
InChI: InChI=1S/C13H16N2O3/c1-10(16)11-3-2-4-12(9-11)14-13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,17)
InChIKey: GFGGXIIHWJXKMZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)c1cccc(c1)NC(=O)N2CCOCC2
ACDLabs 12.01N(c1cccc(c1)C(C)=O)C(N2CCOCC2)=O
CACTVS 3.385CC(=O)c1cccc(NC(=O)N2CCOCC2)c1
Name:N-(3-acetylphenyl)morpholine-4-carboxamide
ChEMBL: CHEMBL1584650
ZINC: ZINC000000032414
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).