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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: FLP
Number of entries in BioLiP: 20
Chemical formula: C15 H13 F O2
InChI: InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
InChIKey: SYTBZMRGLBWNTM-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O
CACTVS 3.341C[C@H](C(O)=O)c1ccc(c(F)c1)c2ccccc2
CACTVS 3.341C[CH](C(O)=O)c1ccc(c(F)c1)c2ccccc2
OpenEye OEToolkits 1.5.0CC(c1ccc(c(c1)F)c2ccccc2)C(=O)O
ACDLabs 10.04Fc2cc(ccc2c1ccccc1)C(C(=O)O)C
Name:FLURBIPROFEN
ChEMBL: CHEMBL435298
DrugBank: DB16159
ZINC: ZINC000000000323

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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