SEQ2FUN

BioLiP

PDB CCD ID: 1MR
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N
InChI: InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKey: AFBPFSWMIHJQDM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04N(c1ccccc1)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CNc1ccccc1
Name:N-METHYLANILINE
ChEMBL: CHEMBL170781
ZINC: ZINC000000901343
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).