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	SR-02000000473
Molecular formula	C21H21ClN2O4
IUPAC name	5-chloro-4-(3,5-dimethoxyphenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one
Molecular weight	400.859
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.7
Synonyms	5-chloro-4-(3,5-dimethoxyphenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one SR-02000000473-1 BDBM75937 5-chloranyl-4-(3,5-dimethoxyphenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one cid_46846319 5-chloro-4-(3,5-dimethoxyphenoxy)-2-p-cumenyl-pyridazin-3-one 5-chloro-4-(3,5-dimethoxyphenoxy)-2-(4-propan-2-ylphenyl)-3-pyridazinone CHEMBL1701679 [ Show all ]
Inchi Key	DDYKWFUEVAUBMW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21ClN2O4/c1-13(2)14-5-7-15(8-6-14)24-21(25)20(19(22)12-23-24)28-18-10-16(26-3)9-17(11-18)27-4/h5-13H,1-4H3
PubChem CID	46846319
ChEMBL	CHEMBL1701679
IUPHAR	N/A
BindingDB	75937
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
57581	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
57580	Neuropeptides B/W receptor type 1	P48145	NPBWR1	Homo sapiens (Human)	328

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