SEQ2FUN

BioLiP

PDB CCD ID: 3IO
Number of entries in BioLiP: 15
Chemical formula: C11 H9 N O3
InChI: InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
InChIKey: RSTKLPZEZYGQPY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)Cc1c[nH]c2ccccc12
Name:3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID
ChEMBL: CHEMBL485012
ZINC: ZINC000001532617
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).