SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C12 H10 F2 N2 O3

InChI:

InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)

InChIKey:

HJMQDJPMQIHLPB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1C=CC(=NN1)c2cc(OC)c(OC(F)F)cc2
CACTVS 3.341 OpenEye OEToolkits 1.5.0	COc1cc(ccc1OC(F)F)C2=NNC(=O)C=C2

Name:

6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE

ChEMBL:

DrugBank:

ZINC:

ZINC000009230249

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).