SEQ2FUN

BioLiP

PDB CCD ID: EQ5
Number of entries in BioLiP: 3
Chemical formula: C11 H11 N O2
InChI: InChI=1S/C11H11NO2/c13-11(14)6-8-12-7-5-9-3-1-2-4-10(9)12/h1-5,7H,6,8H2,(H,13,14)
InChIKey: OSWNOVFZARRSKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCn1ccc2ccccc12
OpenEye OEToolkits 2.0.6c1ccc2c(c1)ccn2CCC(=O)O
Name:3-indol-1-ylpropanoic acid
ChEMBL: CHEMBL3422320
ZINC: ZINC000000179924
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).