SEQ2FUN

BioLiP

PDB CCD ID: 92O
Number of entries in BioLiP: 4
Chemical formula: C15 H20 N2
InChI: InChI=1S/C15H20N2/c1-2-11-4-3-5-13-14(10-17-15(11)13)12-6-8-16-9-7-12/h3-5,10,12,16-17H,2,6-9H2,1H3
InChIKey: UNCXOQBRFONUFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCc1cccc2c1[nH]cc2C3CCNCC3
Name:7-ethyl-3-(piperidin-4-yl)-1H-indole
ChEMBL: CHEMBL5305628
ZINC: ZINC000036379753
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).