SEQ2FUN

BioLiP

PDB CCD ID: QN5
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N O2
InChI: InChI=1S/C11H11NO2/c1-7-9(6-11(13)14)8-4-2-3-5-10(8)12-7/h2-5,12H,6H2,1H3,(H,13,14)
InChIKey: QJNNHJVSQUUHHE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(c2ccccc2[nH]1)CC(=O)O
CACTVS 3.385Cc1[nH]c2ccccc2c1CC(O)=O
Name:2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid;
2-Methylindole-3-acetic acid
ChEMBL: CHEMBL312858
ZINC: ZINC000000245044
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).