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BioLiP

PDB CCD ID: GRZ
Number of entries in BioLiP: 6
Chemical formula: C15 H10 Cl F N4 O3
InChI: InChI=1S/C15H10ClFN4O3/c16-9-1-6-14(24-11-4-2-10(17)3-5-11)13(7-9)21-8-12(18-20-21)15(22)19-23/h1-8,23H,(H,19,22)
InChIKey: NXLUFTCWMNFMML-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F
CACTVS 3.385ONC(=O)c1cn(nn1)c2cc(Cl)ccc2Oc3ccc(F)cc3
Name:1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide
ChEMBL: CHEMBL4176696
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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