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BioLiP

PDB CCD ID: 0XN
Number of entries in BioLiP: 0
Chemical formula: C13 H11 F2 N
InChI: InChI=1S/C13H11F2N/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13H,16H2
InChIKey: WRKGTUUHIURRMW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC(c1ccc(F)cc1)c2ccc(F)cc2
OpenEye OEToolkits 1.7.6c1cc(ccc1C(c2ccc(cc2)F)N)F
ACDLabs 12.01Fc1ccc(cc1)C(N)c2ccc(F)cc2
Name:1,1-bis(4-fluorophenyl)methanamine
ZINC: ZINC000019421488
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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