SEQ2FUN

BioLiP

PDB CCD ID: HID
Number of entries in BioLiP: 3
Chemical formula: C10 H9 N O3
InChI: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
InChIKey: DUUGKQCEGZLZNO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(cc1O)c(c[nH]2)CC(=O)O
CACTVS 3.352OC(=O)Cc1c[nH]c2ccc(O)cc12
Name:(5-hydroxy-1H-indol-3-yl)acetic acid;
5-hydroxy-indole acetate
ChEMBL: CHEMBL395915
ZINC: ZINC000000185722
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).