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BioLiP

PDB CCD ID: K3J
Number of entries in BioLiP: 7
Chemical formula: C7 H11 N3
InChI: InChI=1S/C7H11N3/c1-3-8-7-5-4-6(2)9-10-7/h4-5H,3H2,1-2H3,(H,8,10)
InChIKey: RNOJUWVVUNEZSV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1nc(NCC)ccc1C
CACTVS 3.385CCNc1ccc(C)nn1
OpenEye OEToolkits 2.0.6CCNc1ccc(nn1)C
Name:N-ethyl-6-methylpyridazin-3-amine
ZINC: ZINC000041045017
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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