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BioLiP

PDB CCD ID: A5E
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2 O S
InChI: InChI=1S/C8H8N2OS/c11-8-4-3-6(9-10-8)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)
InChIKey: SLIODHPLYGIMCY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1CCC(=NN1)c2sccc2
OpenEye OEToolkits 2.0.6c1cc(sc1)C2=NNC(=O)CC2
Name:3-thiophen-2-yl-4,5-dihydro-1~{H}-pyridazin-6-one
ZINC: ZINC000000129237
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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