SEQ2FUN

BioLiP

PDB CCD ID: A1CVB
Number of entries in BioLiP: 1
Chemical formula: C11 H16 N2 O
InChI: InChI=1S/C11H16N2O/c12-9-10-3-1-2-4-11(10)13-5-7-14-8-6-13/h1-4H,5-9,12H2
InChIKey: RNYURNUANACIKS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCc1ccccc1N2CCOCC2
ACDLabs 14.52NCc1ccccc1N1CCOCC1
OpenEye OEToolkits 3.1.0.0c1ccc(c(c1)CN)N2CCOCC2
Name:1-[2-(morpholin-4-yl)phenyl]methanamine
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).