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BioLiP

PDB CCD ID: M5Y
Number of entries in BioLiP: 0
Chemical formula: C7 H7 F2 N
InChI: InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
InChIKey: QDZZDVQGBKTLHV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(c1ccc(F)cc1F)N
CACTVS 3.385NCc1ccc(F)cc1F
OpenEye OEToolkits 2.0.7c1cc(c(cc1F)F)CN
Name:1-(2,4-difluorophenyl)methanamine
ZINC: ZINC000000409200
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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