SEQ2FUN

BioLiP

PDB CCD ID: SLY
Number of entries in BioLiP: 1
Chemical formula: C13 H13 N O
InChI: InChI=1S/C13H13NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10,14H2
InChIKey: WXCFCNCGPYJALB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)Oc2ccccc2CN
CACTVS 3.385NCc1ccccc1Oc2ccccc2
Name:(2-phenoxyphenyl)methanamine
ChEMBL: CHEMBL5195142
ZINC: ZINC000012370410
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).