SEQ2FUN

BioLiP

PDB CCD ID: 5RN
Number of entries in BioLiP: 2
Chemical formula: C10 H9 N O
InChI: InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3
InChIKey: VUIMBZIZZFSQEE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)c1c[nH]c2ccccc12
OpenEye OEToolkits 2.0.4CC(=O)c1c[nH]c2c1cccc2
Name:1-(1~{H}-indol-3-yl)ethanone
ChEMBL: CHEMBL553944
ZINC: ZINC000000335859
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).