SEQ2FUN

BioLiP

PDB CCD ID: 9AG
Number of entries in BioLiP: 1
Chemical formula: C14 H15 N O
InChI: InChI=1S/C14H15NO/c1-15-11-12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKey: YWBKPTGYRUSBFV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CNCc1ccc(cc1)Oc2ccccc2
ACDLabs 12.01c2cccc(Oc1ccc(CNC)cc1)c2
CACTVS 3.385CNCc1ccc(Oc2ccccc2)cc1
Name:N-methyl-1-(4-phenoxyphenyl)methanamine
ZINC: ZINC000002576561
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).