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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: BT9
Number of entries in BioLiP: 2
Chemical formula: C14 H10 F3 N O2
InChI: InChI=1S/C14H10F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-12-3-1-2-9(8-12)13(19)20/h1-8,18H,(H,19,20)
InChIKey: MDZIRNPRVJEHHX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC(F)(F)c1ccc(cc1)Nc2cc(ccc2)C(=O)O
OpenEye OEToolkits 1.7.6c1cc(cc(c1)Nc2ccc(cc2)C(F)(F)F)C(=O)O
CACTVS 3.370OC(=O)c1cccc(Nc2ccc(cc2)C(F)(F)F)c1
Name:3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid
ChEMBL: CHEMBL1682202
ZINC: ZINC000054186689

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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