BioLiP

PDB

BioLiP

PDB CCD ID:

PDZ

Number of entries in BioLiP:

Chemical formula:

C17 H12 Cl F N2 O2

InChI:

InChI=1S/C17H12ClFN2O2/c18-14-8-6-11(10-12-7-9-15(22)21-20-12)16(19)17(14)23-13-4-2-1-3-5-13/h1-9H,10H2,(H,21,22)

InChIKey:

NOVPOXGMADEKPP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1C=CC(=NN1)Cc3ccc(Cl)c(Oc2ccccc2)c3F
CACTVS 3.341	Fc1c(CC2=NNC(=O)C=C2)ccc(Cl)c1Oc3ccccc3
OpenEye OEToolkits 1.5.0	c1ccc(cc1)Oc2c(ccc(c2F)CC3=NNC(=O)C=C3)Cl

Name:

6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one

ChEMBL:

CHEMBL479032

DrugBank:

DB08379

ZINC:

ZINC000040404526

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).