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BioLiP

PDB CCD ID: VMK
Number of entries in BioLiP: 1
Chemical formula: C14 H14 F N
InChI: InChI=1S/C14H14FN/c15-14-3-1-2-13(10-14)12-6-4-11(5-7-12)8-9-16/h1-7,10H,8-9,16H2
InChIKey: QQIZQBKKQAFAJV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCc1ccc(cc1)c2cccc(F)c2
OpenEye OEToolkits 2.0.7c1cc(cc(c1)F)c2ccc(cc2)CCN
Name:2-[4-(3-fluorophenyl)phenyl]ethanamine
ChEMBL: CHEMBL4301324
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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