SEQ2FUN

BioLiP

PDB CCD ID: A1CIZ
Number of entries in BioLiP: 2
Chemical formula: C14 H16 N2
InChI: InChI=1S/C14H16N2/c1-16-8-6-11-4-5-12(9-14(11)16)13-3-2-7-15-10-13/h3-6,8-9,15H,2,7,10H2,1H3
InChIKey: HGHJTLFFTQPAOS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1ccc2ccc(cc12)C3=CCCNC3
OpenEye OEToolkits 3.1.0.0Cn1ccc2c1cc(cc2)C3=CCCNC3
ACDLabs 14.52Cn1ccc2ccc(cc21)C1=CCCNC1
Name:(6M)-1-methyl-6-(1,2,5,6-tetrahydropyridin-3-yl)-1H-indole
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).