Zhang Lab

National University of Singapore

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

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred ●TCRfinder

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●HPmod ●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	FK-838
Molecular formula	C21H18N4O3
IUPAC name	4-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]butanoic acid
Molecular weight	374.4
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.1
Synonyms	3-[2-(3-carboxypropyl)-3-oxo-2,3-dihydropyridazin-6-yl]-2-phenylpyrazolo[1,5-a]pyridine ACMC-20mtz5 DTXSID60156936 4-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]butanoic acid C21H18N4O3 FKJPZJACCBMNKZ-UHFFFAOYSA-N 1(6H)-Pyridazinebutanoicacid, 6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)- 6-Oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-1(6H)-pyridazinebutyric acid CTK0H8748 SCHEMBL2641189 4-(6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1(6H)-yl)butanoic acid AKOS030617923 FK 838 L004106 131185-37-0 AC1MHZMV D0EK6D 4-[6-Oxo-3-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-6H-pyridazin-1-yl]-butyric acid BDBM50079654 1(6H)-Pyridazinebutanoic acid, 6-oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)- 6-Oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-1(6H)-pyridazineboutanoic acid CHEMBL292917 LS-172794 [ Show all ]
Inchi Key	FKJPZJACCBMNKZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H18N4O3/c26-18-12-11-16(22-25(18)14-6-10-19(27)28)20-17-9-4-5-13-24(17)23-21(20)15-7-2-1-3-8-15/h1-5,7-9,11-13H,6,10,14H2,(H,27,28)
PubChem CID	3035594
ChEMBL	CHEMBL292917
IUPHAR	N/A
BindingDB	50079654
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
80514	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
80516	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
80517	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
80518	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
537969	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
80515	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410

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