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BioLiP

PDB CCD ID: 72T
Number of entries in BioLiP: 2
Chemical formula: C9 H4 F3 N O2
InChI: InChI=1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15)
InChIKey: MXLDJTXXAYVWDF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1cc2c(c(c1)C(F)(F)F)NC(=O)C2=O
CACTVS 3.385FC(F)(F)c1cccc2C(=O)C(=O)Nc12
Name:7-(trifluoromethyl)-1~{H}-indole-2,3-dione
ChEMBL: CHEMBL376435
ZINC: ZINC000002487385
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)(download the PDF file).
  • 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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