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BioLiP

PDB CCD ID: QFX
Number of entries in BioLiP: 1
Chemical formula: C17 H11 Cl N4 O
InChI: InChI=1S/C17H11ClN4O/c18-17-20-19-15-10-11-16(21-22(15)17)23-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H
InChIKey: XWHTYUYQMHCFMT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccccc2Oc3ccc4nnc(n4n3)Cl
ACDLabs 12.01Clc1nnc2ccc(nn12)Oc1ccccc1c1ccccc1
CACTVS 3.385Clc1nnc2ccc(Oc3ccccc3c4ccccc4)nn12
Name:(4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine
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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