SEQ2FUN

BioLiP

PDB CCD ID: I7O
Number of entries in BioLiP: 3
Chemical formula: C10 H9 N O2
InChI: InChI=1S/C10H9NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-6H,7H2,(H,12,13)
InChIKey: WQJFIWXYPKYBTO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)ccn2CC(=O)O
CACTVS 3.385OC(=O)Cn1ccc2ccccc12
Name:2-indol-1-ylethanoic acid
ChEMBL: CHEMBL1333950
ZINC: ZINC000000410253
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).