SEQ2FUN

BioLiP

PDB CCD ID: RJ0
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N O
InChI: InChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2
InChIKey: MBODXUXQQPORNR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C=CC(=O)N1CCc2ccccc12
OpenEye OEToolkits 3.1.0.0C=CC(=O)N1CCc2c1cccc2
Name:1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
ChEMBL: CHEMBL4570581
ZINC: ZINC000036334122
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).