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:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Pyroglutamylated RF-amide peptide receptor
Species	Homo sapiens (Human)
Gene	QRFPR
Synonym	QRFP receptor peptide p518 receptor Orexigenic neuropeptide QRFP receptor GPR103 G-protein coupled receptor 103 G protein-coupled receptor 103 AQ27 SP9155 [ Show all ]
Disease	N/A
Length	431
Amino acid sequence	MQALNITPEQFSRLLRDHNLTREQFIALYRLRPLVYTPELPGRAKLALVLTGVLIFALALFGNALVFYVVTRSKAMRTVTNIFICSLALSDLLITFFCIPVTMLQNISDNWLGGAFICKMVPFVQSTAVVTEILTMTCIAVERHQGLVHPFKMKWQYTNRRAFTMLGVVWLVAVIVGSPMWHVQQLEIKYDFLYEKEHICCLEEWTSPVHQKIYTTFILVILFLLPLMVMLILYSKIGYELWIKKRVGDGSVLRTIHGKEMSKIARKKKRAVIMMVTVVALFAVCWAPFHVVHMMIEYSNFEKEYDDVTIKMIFAIVQIIGFSNSICNPIVYAFMNENFKKNVLSAVCYCIVNKTFSPAQRHGNSGITMMRKKAKFSLRENPVEETKGEAFSDGNIEVKLCEQTEEKKKLKRHLALFRSELAENSPLDSGH
UniProt	Q96P65
Protein Data Bank	N/A
GPCR-HGmod model	Q96P65
3D structure model	This predicted structure model is from GPCR-EXP Q96P65.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5852
IUPHAR	333
DrugBank	N/A

Ligand

Name	CHEMBL3314355
Molecular formula	C23H24N4O
IUPAC name	[6-[(dimethylamino)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(5-ethynyl-1-methylpyrrolo[2,3-c]pyridin-2-yl)methanone
Molecular weight	372.472
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.4
Synonyms	BDBM50045841
Inchi Key	CEZZNFSQMLQKBB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24N4O/c1-5-20-11-19-12-21(26(4)22(19)13-24-20)23(28)27-9-8-17-10-16(14-25(2)3)6-7-18(17)15-27/h1,6-7,10-13H,8-9,14-15H2,2-4H3
PubChem CID	118707556
ChEMBL	CHEMBL3314355
IUPHAR	N/A
BindingDB	50045841
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6000.0 nM	PMID24937104	BindingDB,ChEMBL

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