SEQ2FUN

BioLiP

PDB CCD ID: 0LH
Number of entries in BioLiP: 2
Chemical formula: C10 H12 N2
InChI: InChI=1S/C10H12N2/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-5,7H,6,8,11H2
InChIKey: BXEFQUSYBZYTAE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NCCn1ccc2ccccc12
ACDLabs 12.01c1cccc2c1ccn2CCN
OpenEye OEToolkits 1.7.6c1ccc2c(c1)ccn2CCN
Name:2-(1H-indol-1-yl)ethanamine
ZINC: ZINC000002022112
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).