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BioLiP

PDB CCD ID: A1LX3
Number of entries in BioLiP: 2
Chemical formula: C20 H23 N
InChI: InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3/t15-,20+
InChIKey: QSLMDECMDJKHMQ-GSXCWMCISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNCCCC12CCC(c3c1cccc3)c4c2cccc4
CACTVS 3.385CNCCC[C]12CC[CH](c3ccccc13)c4ccccc24
CACTVS 3.385CNCCC[C@@]12CC[C@@H](c3ccccc13)c4ccccc24
Name:~{N}-methyl-3-(1-tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2(7),3,5,9,11,13-hexaenyl)propan-1-amine;
Maprotiline
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)(download the PDF file).
  • 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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