SEQ2FUN

BioLiP

PDB CCD ID: CWJ
Number of entries in BioLiP: 2
Chemical formula: C10 H11 N O
InChI: InChI=1S/C10H11NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-6,11H,1-2H3
InChIKey: VSWGLJOQFUMFOQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc2[nH]c(C)cc2c1
ACDLabs 12.01c12ccc(cc1cc(C)n2)OC
OpenEye OEToolkits 2.0.6Cc1cc2cc(ccc2[nH]1)OC
Name:5-methoxy-2-methyl-1H-indole
ChEMBL: CHEMBL4850447
ZINC: ZINC000000135257
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).