SEQ2FUN

BioLiP

PDB CCD ID: RBJ
Number of entries in BioLiP: 7
Chemical formula: C8 H11 N O
InChI: InChI=1S/C8H11NO/c1-9-6-7-2-4-8(10)5-3-7/h2-5,9-10H,6H2,1H3
InChIKey: AMKMYXVFAOJGGQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNCc1ccc(O)cc1
OpenEye OEToolkits 2.0.6CNCc1ccc(cc1)O
ACDLabs 12.01c1c(ccc(c1)CNC)O
Name:4-[(methylamino)methyl]phenol
ZINC: ZINC000011920608
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).