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BioLiP

PDB CCD ID: ZDV
Number of entries in BioLiP: 0
Chemical formula: C7 H8 F N
InChI: InChI=1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
InChIKey: QVSVMNXRLWSNGS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(cc(c1)F)CN
CACTVS 3.370NCc1cccc(F)c1
ACDLabs 12.01Fc1cc(ccc1)CN
Name:1-(3-fluorophenyl)methanamine
ChEMBL: CHEMBL12722
ZINC: ZINC000000152271
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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