SEQ2FUN

BioLiP

PDB CCD ID: 5RO
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N O
InChI: InChI=1S/C11H11NO/c1-7-4-3-5-9-10(8(2)13)6-12-11(7)9/h3-6,12H,1-2H3
InChIKey: LJRVPYJAWOKMGL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1cccc2c1[nH]cc2C(=O)C
CACTVS 3.385CC(=O)c1c[nH]c2c(C)cccc12
Name:1-(7-methyl-1~{H}-indol-3-yl)ethanone
ChEMBL: CHEMBL3817859
ZINC: ZINC000021982353
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).