SEQ2FUN

BioLiP

PDB CCD ID: F66
Number of entries in BioLiP: 10
Chemical formula: C11 H14 N2
InChI: InChI=1S/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3
InChIKey: CPVSLHQIPGTMLH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(c2ccccc2[nH]1)CCN
CACTVS 3.385Cc1[nH]c2ccccc2c1CCN
Name:2-(2-methyl-1H-indol-3-yl)ethanamine;
2-Methyltryptamine
ChEMBL: CHEMBL2358910
ZINC: ZINC000000140764
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).