BioLiP

PDB

BioLiP

PDB CCD ID:

A5E

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	O=C1CCC(=NN1)c2sccc2
OpenEye OEToolkits 2.0.6	c1cc(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, Lydia 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).