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BioLiP

PDB CCD ID: TXU
Number of entries in BioLiP: 1
Chemical formula: C10 H12 N2
InChI: InChI=1S/C10H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4-6,8H,3,7H2,1H3
InChIKey: TVKHGXPZBZKXFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN1CCC=C1c2cccnc2
ACDLabs 12.01CN1CCC=C1c1cnccc1
Name:N-methylmyosmine
ZINC: ZINC000006228343
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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