Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	MLS000700440
Molecular formula	C15H10Cl2N4O2
IUPAC name	4,5-dichloro-2-[6-(2-methylphenoxy)pyrimidin-4-yl]pyridazin-3-one
Molecular weight	349.171
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.5
Synonyms	CHEMBL1384167 4,5-dichloro-2-[6-(2-methylphenoxy)-4-pyrimidinyl]-3-pyridazinone BDBM68076 4,5-bis(chloranyl)-2-[6-(2-methylphenoxy)pyrimidin-4-yl]pyridazin-3-one cid_850484 4,5-dichloro-2-[6-(2-methylphenoxy)pyrimidin-4-yl]pyridazin-3-one SMR000229917 4,5-dichloro-2-[6-(2-methylphenoxy)-4-pyrimidinyl]-3(2H)-pyridazinone HMS2534G23 AC1LGR4E [ Show all ]
Inchi Key	COKVDHDTHNXNNV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10Cl2N4O2/c1-9-4-2-3-5-11(9)23-13-6-12(18-8-19-13)21-15(22)14(17)10(16)7-20-21/h2-8H,1H3
PubChem CID	850484
ChEMBL	CHEMBL1384167
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
46744	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
46741	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699
46743	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
468668	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
46742	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417