SEQ2FUN

BioLiP

PDB CCD ID: BZ3
Number of entries in BioLiP: 4
Chemical formula: C9 H9 N O
InChI: InChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChIKey: DWAQDRSOVMLGRQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352COc1ccc2[nH]ccc2c1
OpenEye OEToolkits 1.7.0COc1ccc2c(c1)cc[nH]2
ACDLabs 11.02O(c1cc2c(cc1)ncc2)C
Name:5-methoxy-1H-indole
ChEMBL: CHEMBL280311
ZINC: ZINC000000158156
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).