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BioLiP

PDB CCD ID: FLF
Number of entries in BioLiP: 15
Chemical formula: C14 H10 F3 N O2
InChI: InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
InChIKey: LPEPZBJOKDYZAD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F
CACTVS 3.341OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F
ACDLabs 10.04FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O
Name:2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID;
FLUFENAMIC ACID
ChEMBL: CHEMBL23588
DrugBank: DB02266
ZINC: ZINC000000086535
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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