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BioLiP

PDB CCD ID: D28
Number of entries in BioLiP: 1
Chemical formula: C17 H13 F N2 O3 S
InChI: InChI=1S/C17H13FN2O3S/c1-9-6-10(2-5-13(9)18)14-8-24-17(20-14)19-11-3-4-12(16(22)23)15(21)7-11/h2-8,21H,1H3,(H,19,20)(H,22,23)
InChIKey: LKZZDHKJFDTYCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Fc3ccc(c1nc(sc1)Nc2cc(O)c(C(=O)O)cc2)cc3C
OpenEye OEToolkits 1.5.0Cc1cc(ccc1F)c2csc(n2)Nc3ccc(c(c3)O)C(=O)O
CACTVS 3.341Cc1cc(ccc1F)c2csc(Nc3ccc(C(O)=O)c(O)c3)n2
Name:4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
ChEMBL: CHEMBL258467
DrugBank: DB07616
ZINC: ZINC000000070745
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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