SEQ2FUN

BioLiP

PDB CCD ID: LDV
Number of entries in BioLiP: 4
Chemical formula: C15 H20 N2
InChI: InChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3
InChIKey: DGCGMYNLCDVYMB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1CCN(CC1)Cc2c[nH]c3c2cccc3
CACTVS 3.385CC1CCN(CC1)Cc2c[nH]c3ccccc23
ACDLabs 12.01N1(CCC(CC1)C)Cc3c2c(cccc2)nc3
Name:3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
ChEMBL: CHEMBL57478
ZINC: ZINC000000142608
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).