BioLiP

PDB

BioLiP

PDB CCD ID:

A1ENK

Number of entries in BioLiP:

Chemical formula:

C6 H5 Cl N2 O3

InChI:

InChI=1S/C6H5ClN2O3/c1-12-6(11)3-2-4(7)8-9-5(3)10/h2H,1H3,(H,9,10)

InChIKey:

WHXBMYDYRJIIMD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COC(=O)C1=CC(=NNC1=O)Cl

Name:

methyl 3-chloranyl-6-oxidanylidene-1~{H}-pyridazine-5-carboxylate

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).