SEQ2FUN

BioLiP

PDB CCD ID: 6LR
Number of entries in BioLiP: 5
Chemical formula: C4 H9 N O
InChI: InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
InChIKey: YNAVUWVOSKDBBP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N1CCOCC1
CACTVS 3.385
OpenEye OEToolkits 2.0.4		C1COCCN1
Name:morpholine
ChEMBL: CHEMBL276518
DrugBank: DB13669
ZINC: ZINC000001699948
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).