SEQ2FUN

BioLiP

PDB CCD ID: OEI
Number of entries in BioLiP: 1
Chemical formula: C9 H13 N O
InChI: InChI=1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKey: XNIOWJUQPMKCIJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCNCc1ccccc1
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)CNCCO
Name:2-[(phenylmethyl)amino]ethanol;
2-(benzylamino)ethan-1-ol
ChEMBL: CHEMBL119890
ZINC: ZINC000001712826
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).