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BioLiP

PDB CCD ID: 6UG
Number of entries in BioLiP: 1
Chemical formula: C20 H13 F5 N2 O
InChI: InChI=1S/C20H13F5N2O/c1-11-2-9-17(18(26-11)12-3-6-14(21)7-4-12)27-19(28)15-8-5-13(10-16(15)22)20(23,24)25/h2-10H,1H3,(H,27,28)
InChIKey: FBACRSKJFHDTDV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c(n1)c3ccc(F)cc3
OpenEye OEToolkits 2.0.5Cc1ccc(c(n1)c2ccc(cc2)F)NC(=O)c3ccc(cc3F)C(F)(F)F
Name:2-fluoranyl-~{N}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide
ChEMBL: CHEMBL4469569
ZINC: ZINC000584904969
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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