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BioLiP

PDB CCD ID: A1BCF
Number of entries in BioLiP: 4
Chemical formula: C12 H14 N4 O2 S
InChI: InChI=1S/C12H14N4O2S/c1-3-16-11(17)5-4-9(14-16)12(18)15(2)8-10-13-6-7-19-10/h4-7H,3,8H2,1-2H3
InChIKey: ZAZXYKHEXHZITN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52CN(Cc1nccs1)C(=O)C=1C=CC(=O)N(CC)N=1
CACTVS 3.385CCN1N=C(C=CC1=O)C(=O)N(C)Cc2sccn2
OpenEye OEToolkits 3.1.0.0CCN1C(=O)C=CC(=N1)C(=O)N(C)Cc2nccs2
Name:1-ethyl-N-methyl-6-oxo-N-[(1,3-thiazol-2-yl)methyl]-1,6-dihydropyridazine-3-carboxamide
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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