SEQ2FUN

BioLiP

PDB CCD ID: TSS
Number of entries in BioLiP: 26
Chemical formula: C10 H12 N2
InChI: InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChIKey: APJYDQYYACXCRM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NCCc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CCN
ACDLabs 10.04c1cccc2c1c(cn2)CCN
Name:2-(1H-INDOL-3-YL)ETHANAMINE;
TRYPTAMINE
ChEMBL: CHEMBL6640
DrugBank: DB08653
ZINC: ZINC000000120144
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).