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BioLiP

PDB CCD ID: 0IM
Number of entries in BioLiP: 4
Chemical formula: C11 H7 F3 N2 O2
InChI: InChI=1S/C11H7F3N2O2/c12-11(13,14)9-8(10(17)18)6-15-16(9)7-4-2-1-3-5-7/h1-6H,(H,17,18)
InChIKey: SMPJBTIFNUUWGQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)n2c(c(cn2)C(=O)O)C(F)(F)F
CACTVS 3.385OC(=O)c1cnn(c2ccccc2)c1C(F)(F)F
Name:1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
ChEMBL: CHEMBL1540706
ZINC: ZINC000000057710
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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