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BioLiP

PDB CCD ID: AYN
Number of entries in BioLiP: 2
Chemical formula: C16 H11 F3 N2 O
InChI: InChI=1S/C16H11F3N2O/c17-16(18,19)11-5-3-6-12(9-11)21-13-7-2-1-4-10(13)8-14(21)15(20)22/h1-9H,(H2,20,22)
InChIKey: IRJUBZXSBPCNAU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)cc(n2c3cccc(c3)C(F)(F)F)C(=O)N
CACTVS 3.385NC(=O)c1cc2ccccc2n1c3cccc(c3)C(F)(F)F
Name:1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
ChEMBL: CHEMBL4169491
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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