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BioLiP

PDB CCD ID: A1BCR
Number of entries in BioLiP: 2
Chemical formula: C9 H8 N4 O2 S
InChI: InChI=1S/C9H8N4O2S/c14-8-2-1-6(12-13-8)3-10-9(15)7-4-16-5-11-7/h1-2,4-5H,3H2,(H,10,15)(H,13,14)
InChIKey: WJZNUSUKVOWSTR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1NN=C(CNC(=O)c2cscn2)C=C1
OpenEye OEToolkits 3.1.0.0c1c(ncs1)C(=O)NCC2=NNC(=O)C=C2
ACDLabs 14.52O=C(NCC=1C=CC(=O)NN=1)c1cscn1
Name:N-[(6-oxo-1,6-dihydropyridazin-3-yl)methyl]-1,3-thiazole-4-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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