SEQ2FUN

BioLiP

PDB CCD ID: 47G
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N O2
InChI: InChI=1S/C8H11NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,5,9H2,1H3
InChIKey: HJIDMVZCXORAIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2COc1ccc(cc1O)CN
CACTVS 3.385COc1ccc(CN)cc1O
ACDLabs 12.01Oc1cc(ccc1OC)CN
Name:5-(aminomethyl)-2-methoxyphenol
ZINC: ZINC000000873869
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).