SEQ2FUN

BioLiP

PDB CCD ID: 73F
Number of entries in BioLiP: 1
Chemical formula: C16 H13 N O2
InChI: InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)17(16(15)19)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey: XICVNIWRISOITG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1N(CCc2ccccc2)c3ccccc3C1=O
OpenEye OEToolkits 2.0.5c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O
Name:1-(2-phenylethyl)indole-2,3-dione
ChEMBL: CHEMBL3128205
ZINC: ZINC000002268444
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).