SEQ2FUN

BioLiP

PDB CCD ID: WJG
Number of entries in BioLiP: 1
Chemical formula: C14 H15 N O
InChI: InChI=1S/C14H15NO/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14H,15H2,1H3
InChIKey: MXDBCXKVTJDKNP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)C(c2ccccc2)N
CACTVS 3.385COc1ccc(cc1)[CH](N)c2ccccc2
OpenEye OEToolkits 2.0.7COc1ccc(cc1)[C@@H](c2ccccc2)N
CACTVS 3.385COc1ccc(cc1)[C@@H](N)c2ccccc2
ACDLabs 12.01c2(C(N)c1ccccc1)ccc(OC)cc2
Name:(S)-1-(4-methoxyphenyl)-1-phenylmethanamine
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).