SEQ2FUN

BioLiP

PDB CCD ID: QPR
Number of entries in BioLiP: 2
Chemical formula: C11 H11 N O
InChI: InChI=1S/C11H11NO/c1-8(13)10-7-12(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3
InChIKey: HYLFRICFKVJJOZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc(C(C)=O)c2ccccc12
OpenEye OEToolkits 2.0.6CC(=O)c1cn(c2c1cccc2)C
Name:1-(1-methylindol-3-yl)ethanone
ChEMBL: CHEMBL4068840
ZINC: ZINC000001400602
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).