SEQ2FUN

BioLiP

PDB CCD ID: IAG
Number of entries in BioLiP: 2
Chemical formula: C12 H12 N2 O3
InChI: InChI=1S/C12H12N2O3/c15-11(14-7-12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6,13H,5,7H2,(H,14,15)(H,16,17)
InChIKey: YDXXLJMIHMIOIF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CNC(=O)Cc2c1ccccc1nc2
CACTVS 3.341OC(=O)CNC(=O)Cc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(=O)NCC(=O)O
Name:N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID
DrugBank: DB07952
ZINC: ZINC000000057380
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).