SEQ2FUN

BioLiP

PDB CCD ID: PZM
Number of entries in BioLiP: 4
Chemical formula: C8 H11 N O
InChI: InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
InChIKey: IDPURXSQCKYKIJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1ccc(cc1)CN
ACDLabs 10.04O(c1ccc(cc1)CN)C
CACTVS 3.341COc1ccc(CN)cc1
Name:1-(4-METHOXYPHENYL)METHANAMINE;
P-METHOXYBENZYLAMINE
ChEMBL: CHEMBL12720
ZINC: ZINC000000157596
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).