SEQ2FUN

BioLiP

PDB CCD ID: A1AYU
Number of entries in BioLiP: 1
Chemical formula: C10 H7 F3 N2 O
InChI: InChI=1S/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-6,14H
InChIKey: PSQCMVQGPMFFCX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)N2C(=O)C=C(N2)C(F)(F)F
ACDLabs 12.01FC(F)(F)C1=CC(=O)N(N1)c1ccccc1
CACTVS 3.385FC(F)(F)C1=CC(=O)N(N1)c2ccccc2
Name:2-phenyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).