SEQ2FUN

BioLiP

PDB CCD ID: RG0
Number of entries in BioLiP: 1
Chemical formula: C11 H9 Cl F3 N O
InChI: InChI=1S/C11H9ClF3NO/c1-6(17)16-5-4-7-9(16)3-2-8(12)10(7)11(13,14)15/h2-3H,4-5H2,1H3
InChIKey: OCTQANMBVHBRLQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F
OpenEye OEToolkits 3.1.0.0CC(=O)N1CCc2c1ccc(c2C(F)(F)F)Cl
Name:1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
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).