SEQ2FUN

BioLiP

PDB CCD ID: A1AFV
Number of entries in BioLiP: 2
Chemical formula: C12 H16 N2
InChI: InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKey: DMULVCHRPCFFGV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CN(C)CCc1c[NH]c2ccccc21
OpenEye OEToolkits 2.0.7CN(C)CCc1c[nH]c2c1cccc2
CACTVS 3.385CN(C)CCc1c[nH]c2ccccc12
Name:2-(1H-indol-3-yl)-N,N-dimethylethan-1-amine
ChEMBL: CHEMBL12420
DrugBank: DB01488
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).