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BioLiP

PDB CCD ID: F5X
Number of entries in BioLiP: 2
Chemical formula: C11 H14 N2 O
InChI: InChI=1S/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3
InChIKey: VOCGEKMEZOPDFP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)[nH]cc2CCN
CACTVS 3.385COc1ccc2c(CCN)c[nH]c2c1
Name:2-(6-methoxy-1H-indol-3-yl)ethanamine;
6-Methoxytryptamine
ChEMBL: CHEMBL337825
ZINC: ZINC000000077360
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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