SEQ2FUN

BioLiP

PDB CCD ID: M8X
Number of entries in BioLiP: 1
Chemical formula: C19 H28 N2 O
InChI: InChI=1S/C19H28N2O/c1-21(12-11-15-7-4-2-3-5-8-15)14-16-13-20-19-17(16)9-6-10-18(19)22/h6,9-10,13,15,20,22H,2-5,7-8,11-12,14H2,1H3
InChIKey: MNMQAHKGWMLPCY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(CCC1CCCCCC1)Cc2c[nH]c3c2cccc3O
CACTVS 3.385CN(CCC1CCCCCC1)Cc2c[nH]c3c(O)cccc23
Name:3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol
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).