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BioLiP

PDB CCD ID: EWJ
Number of entries in BioLiP: 2
Chemical formula: C20 H13 F N2 O3
InChI: InChI=1S/C20H13FN2O3/c21-19-17(11-22-23-19)14-6-8-18(16(10-14)20(24)25)26-15-7-5-12-3-1-2-4-13(12)9-15/h1-11H,(H,22,23)(H,24,25)
InChIKey: DLVKEINOBWQQLX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4F
CACTVS 3.385OC(=O)c1cc(ccc1Oc2ccc3ccccc3c2)c4c[nH]nc4F
ACDLabs 12.01c3cccc4cc(Oc1ccc(cc1C(O)=O)c2cnnc2F)ccc34
Name:5-(3-fluoro-1H-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid
ChEMBL: CHEMBL4218738
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)(download the PDF file).
  • 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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