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BioLiP

PDB CCD ID: 9X3
Number of entries in BioLiP: 1
Chemical formula: C13 H20 N2 O
InChI: InChI=1S/C13H20N2O/c1-14-10-12-3-2-4-13(9-12)11-15-5-7-16-8-6-15/h2-4,9,14H,5-8,10-11H2,1H3
InChIKey: JZMYRFZAMCXUIF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CNCc1cccc(c1)CN2CCOCC2
CACTVS 3.385CNCc1cccc(CN2CCOCC2)c1
ACDLabs 12.01O2CCN(Cc1cc(ccc1)CNC)CC2
Name:N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine
ZINC: ZINC000020230819
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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