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BioLiP

PDB CCD ID: 8JR
Number of entries in BioLiP: 1
Chemical formula: C18 H14 F N O5 S
InChI: InChI=1S/C18H14FNO5S/c1-25-15-9-10-16(12-6-3-2-5-11(12)15)26(23,24)20-14-8-4-7-13(17(14)19)18(21)22/h2-10,20H,1H3,(H,21,22)
InChIKey: GBWOMBQVUCUIGY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(c2ccccc12)[S](=O)(=O)Nc3cccc(C(O)=O)c3F
OpenEye OEToolkits 2.0.6COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cccc(c3F)C(=O)O
Name:2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
ChEMBL: CHEMBL4293576
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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