SEQ2FUN

BioLiP

PDB CCD ID: RRI
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N O
InChI: InChI=1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3
InChIKey: RNTCWULFNYNFGI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)N1CCc2ccccc12
OpenEye OEToolkits 3.1.0.0CC(=O)N1CCc2c1cccc2
Name:1-indol-1-ylethanone
ChEMBL: CHEMBL3274978
ZINC: ZINC000000149578
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).