SEQ2FUN

BioLiP

PDB CCD ID: O2J
Number of entries in BioLiP: 1
Chemical formula: C11 H16 N2 O2
InChI: InChI=1S/C11H16N2O2/c1-14-9-10-8-13(6-7-15-10)11-4-2-3-5-12-11/h2-5,10H,6-9H2,1H3/t10-/m1/s1
InChIKey: QTYSPYFVCIFIBZ-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		COC[C@H]1CN(CCO1)c2ccccn2
ACDLabs 12.01N2(c1ccccn1)CCOC(C2)COC
OpenEye OEToolkits 2.0.6COCC1CN(CCO1)c2ccccn2
CACTVS 3.385COC[CH]1CN(CCO1)c2ccccn2
Name:(2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine
ZINC: ZINC000078343210
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).