SEQ2FUN

BioLiP

PDB CCD ID: 271
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N
InChI: InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKey: RIWRFSMVIUAEBX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CNCc1ccccc1
ACDLabs 10.04N(C)Cc1ccccc1
Name:N-methyl-1-phenylmethanamine
ChEMBL: CHEMBL1338
ZINC: ZINC000001090563
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).