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BioLiP

PDB CCD ID: ZUT
Number of entries in BioLiP: 1
Chemical formula: C20 H16 F N O3
InChI: InChI=1S/C20H16FNO3/c21-15-9-10-18(20(23)24)19(11-15)22-16-7-4-8-17(12-16)25-13-14-5-2-1-3-6-14/h1-12,22H,13H2,(H,23,24)
InChIKey: SPDQLJLHAQECOP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)COc2cccc(c2)Nc3cc(ccc3C(=O)O)F
CACTVS 3.385OC(=O)c1ccc(F)cc1Nc2cccc(OCc3ccccc3)c2
Name:4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid
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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