SEQ2FUN

BioLiP

PDB CCD ID: KWK
Number of entries in BioLiP: 10
Chemical formula: C15 H22 N2
InChI: InChI=1S/C15H22N2/c1-12(2)7-9-16-10-8-13-11-17-15-6-4-3-5-14(13)15/h3-6,11-12,16-17H,7-10H2,1-2H3
InChIKey: LNPTWYDXPVIVFZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)CCNCCc1c[nH]c2ccccc12
OpenEye OEToolkits 2.0.7CC(C)CCNCCc1c[nH]c2c1cccc2
Name:~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-butan-1-amine
ChEMBL: CHEMBL1779178
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).