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BioLiP

PDB CCD ID: A28
Number of entries in BioLiP: 1
Chemical formula: C17 H15 F2 N3 O
InChI: InChI=1S/C17H15F2N3O/c1-2-6-13(23)20-17-12-9-11(10-7-4-3-5-8-10)14(18)15(19)16(12)21-22-17/h3-5,7-9H,2,6H2,1H3,(H2,20,21,22,23)
InChIKey: TZFLUWBMBJLZQO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCC(=O)Nc1c2cc(c(c(c2[nH]n1)F)F)c3ccccc3
CACTVS 3.352CCCC(=O)Nc1n[nH]c2c(F)c(F)c(cc12)c3ccccc3
Name:N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide
ChEMBL: CHEMBL1091788
ZINC: ZINC000044460265
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)(download the PDF file).
  • 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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