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BioLiP

PDB CCD ID: 47B
Number of entries in BioLiP: 2
Chemical formula: C11 H6 F2 N4
InChI: InChI=1S/C11H6F2N4/c12-8-2-1-7(5-9(8)13)10-6-17-4-3-14-11(17)16-15-10/h1-6H
InChIKey: XBCQPBDYPOLZBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Fc3ccc(c1nnc2nccn2c1)cc3F
CACTVS 3.385Fc1ccc(cc1F)c2cn3ccnc3nn2
OpenEye OEToolkits 1.9.2c1cc(c(cc1c2cn3ccnc3nn2)F)F
Name:3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine
ZINC: ZINC000584904647
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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