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BioLiP

PDB CCD ID: 5AN
Number of entries in BioLiP: 1
Chemical formula: C6 H5 F2 N
InChI: InChI=1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKey: KQOIBXZRCYFZSO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(cc1F)F)N
CACTVS 3.341Nc1cc(F)cc(F)c1
ACDLabs 10.04Fc1cc(N)cc(F)c1
Name:3,5-DIFLUOROANILINE
DrugBank: DB03238
ZINC: ZINC000000164838
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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