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-02000000358
Molecular formula	C21H20N2O3
IUPAC name	5-cyclopropyl-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one
Molecular weight	348.402
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.0
Synonyms	BDBM75890 cid_46172939 5-cyclopropyl-4-(4-methoxyphenoxy)-2-(p-tolyl)pyridazin-3-one 5-cyclopropyl-4-(4-methoxyphenoxy)-2-(4-methylphenyl)-3-pyridazinone CHEMBL1728621 SR-02000000358-1 5-cyclopropyl-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one [ Show all ]
Inchi Key	BOSONUOCNBJILM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20N2O3/c1-14-3-7-16(8-4-14)23-21(24)20(19(13-22-23)15-5-6-15)26-18-11-9-17(25-2)10-12-18/h3-4,7-13,15H,5-6H2,1-2H3
PubChem CID	46172939
ChEMBL	CHEMBL1728621
IUPHAR	N/A
BindingDB	75890
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
29102	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
29103	Neuropeptides B/W receptor type 1	P48145	NPBWR1	Homo sapiens (Human)	328

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