BioLiP

PDB

BioLiP

PDB CCD ID:

U2W

Number of entries in BioLiP:

Chemical formula:

C4 H Cl2 N3 O3

InChI:

InChI=1S/C4HCl2N3O3/c5-1-2(6)4(10)8-7-3(1)9(11)12/h(H,8,10)

InChIKey:

SCNATHDZNWMBOX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1(=C(C(=NNC1=O)N(=O)=O)Cl)Cl
CACTVS 3.385	ClC1=C(Cl)C(=NNC1=O)[N](=O)=O

Name:

4,5-bis(chloranyl)-3-nitro-1~{H}-pyridazin-6-one

ZINC:

ZINC000002561312

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).