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BioLiP

PDB CCD ID: WXN
Number of entries in BioLiP: 1
Chemical formula: C20 H31 N3
InChI: InChI=1S/C20H31N3/c1-21-19-11-7-10-18-17(14-22-20(18)19)15-23(2)13-12-16-8-5-3-4-6-9-16/h7,10-11,14,16,21-22H,3-6,8-9,12-13,15H2,1-2H3
InChIKey: BPPWCTYSUCXUIN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNc1cccc2c1[nH]cc2CN(C)CCC3CCCCCC3
CACTVS 3.385CNc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12
Name:3-(((2-cycloheptylethyl)(methyl)amino)methyl)-N-methyl-1H-indol-7-amine;
3-[[2-cycloheptylethyl(methyl)amino]methyl]-N-methyl-1H-indol-7-amine
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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