SEQ2FUN

BioLiP

PDB CCD ID: 3ID
Number of entries in BioLiP: 3
Chemical formula: C8 H7 N O2
InChI: InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H
InChIKey: SGNZYJXNUURYCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Oc1cc2c(cc1O)ncc2
OpenEye OEToolkits 1.5.0c1c[nH]c2c1cc(c(c2)O)O
CACTVS 3.341Oc1cc2[nH]ccc2cc1O
Name:3H-INDOLE-5,6-DIOL
ChEMBL: CHEMBL92636
DrugBank: DB01811
ZINC: ZINC000000895800
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).