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BioLiP

PDB CCD ID: F5U
Number of entries in BioLiP: 5
Chemical formula: C11 H14 N2 O
InChI: InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
InChIKey: JTEJPPKMYBDEMY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)c(c[nH]2)CCN
CACTVS 3.385COc1ccc2[nH]cc(CCN)c2c1
Name:2-(5-methoxy-1H-indol-3-yl)ethanamine;
5-Methoxytryptamine
ChEMBL: CHEMBL8165
ZINC: ZINC000000057163
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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