SEQ2FUN

BioLiP

PDB CCD ID: VVP
Number of entries in BioLiP: 8
Chemical formula: C9 H9 N O
InChI: InChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3
InChIKey: LUNOXNMCFPFPMO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cccc2c1cc[nH]2
CACTVS 3.385COc1cccc2[nH]ccc12
ACDLabs 12.01n1ccc2c1cccc2OC
Name:4-methoxy-1H-indole
ChEMBL: CHEMBL2018155
ZINC: ZINC000000407091
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).