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BioLiP

PDB CCD ID: Z4I
Number of entries in BioLiP: 2
Chemical formula: C14 H13 F2 N5 O2
InChI: InChI=1S/C14H13F2N5O2/c15-11(16)13(23)21-20-12(22)10-7-18-14(19-8-10)17-6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H,20,22)(H,21,23)(H,17,18,19)
InChIKey: WAERNYVSQGAOPC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNc2ncc(cn2)C(=O)NNC(=O)C(F)F
ACDLabs 12.01
CACTVS 3.385		FC(F)C(=O)NNC(=O)c1cnc(NCc2ccccc2)nc1
Name:2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide
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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