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-02000000443
Molecular formula	C20H20ClN3O
IUPAC name	4-(benzylamino)-5-chloro-2-(4-propan-2-ylphenyl)pyridazin-3-one
Molecular weight	353.85
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.7
Synonyms	CHEMBL1734822 SR-02000000443-1 5-chloranyl-4-[(phenylmethyl)amino]-2-(4-propan-2-ylphenyl)pyridazin-3-one BDBM75914 cid_46835807 4-(benzylamino)-5-chloro-2-(4-propan-2-ylphenyl)pyridazin-3-one 5-chloro-4-[(phenylmethyl)amino]-2-(4-propan-2-ylphenyl)-3-pyridazinone 4-(benzylamino)-5-chloro-2-p-cumenyl-pyridazin-3-one [ Show all ]
Inchi Key	BUBKAZGCPPCWCH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20ClN3O/c1-14(2)16-8-10-17(11-9-16)24-20(25)19(18(21)13-23-24)22-12-15-6-4-3-5-7-15/h3-11,13-14,22H,12H2,1-2H3
PubChem CID	46835807
ChEMBL	CHEMBL1734822
IUPHAR	N/A
BindingDB	75914
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
32880	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
32881	Neuropeptides B/W receptor type 1	P48145	NPBWR1	Homo sapiens (Human)	328

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