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BioLiP

PDB CCD ID: PWG
Number of entries in BioLiP: 6
Chemical formula: C8 H4 F5 N3
InChI: InChI=1S/C8H4F5N3/c9-5(10)7-15-14-6-4(8(11,12)13)2-1-3-16(6)7/h1-3,5H
InChIKey: IXNLNZKUZJOGKO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c1c(C(F)(F)F)cccn1c(n2)C(F)F
CACTVS 3.385FC(F)c1nnc2n1cccc2C(F)(F)F
OpenEye OEToolkits 2.0.6c1cc(c2nnc(n2c1)C(F)F)C(F)(F)F
Name:3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine
ZINC: ZINC000001406513
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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