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BioLiP Library

PDB CCD ID: 4AS
Number of entries in BioLiP: 1
Chemical formula: C6 H11 N3
InChI: InChI=1S/C6H11N3/c1-7-5-6-8-3-4-9(6)2/h3-4,7H,5H2,1-2H3
InChIKey: YFSZWZHEKIMAJJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CNCc1nccn1C
ACDLabs 12.01n1ccn(c1CNC)C
Name:N-methyl-1-(1-methyl-1H-imidazol-2-yl)methanamine
ZINC: ZINC000002559719
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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