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BioLiP

PDB CCD ID: FTZ
Number of entries in BioLiP: 1
Chemical formula: C13 H10 Cl F N4 O
InChI: InChI=1S/C13H10ClFN4O/c14-9-3-1-4-10(15)8(9)7-16-13-17-12(18-19-13)11-5-2-6-20-11/h1-6H,7H2,(H2,16,17,18,19)
InChIKey: AHOHWELPUXLPOF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)Cl)CNc2[nH]nc(n2)c3ccco3)F
CACTVS 3.385Fc1cccc(Cl)c1CNc2[nH]nc(n2)c3occc3
ACDLabs 12.01Fc1cccc(Cl)c1CNc2nc(nn2)c3occc3
Name:N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine
ChEMBL: CHEMBL1354522
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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