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	CHEMBL1802425
Molecular formula	C40H53N11O8
IUPAC name	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight	815.933
Hydrogen bond acceptor	10
Hydrogen bond donor	11
XlogP	-1.2
Synonyms	BDBM50347830
Inchi Key	PQRQSEBAGUHPRH-XDIGFQIYSA-N
Inchi ID	InChI=1S/C40H53N11O8/c41-22-33(53)46-23-34(54)47-30(20-26-13-6-2-7-14-26)37(57)51-32(24-52)39(59)50-31(21-27-15-8-3-9-16-27)38(58)48-28(17-10-18-45-40(43)44)36(56)49-29(35(42)55)19-25-11-4-1-5-12-25/h1-9,11-16,28-32,52H,10,17-24,41H2,(H2,42,55)(H,46,53)(H,47,54)(H,48,58)(H,49,56)(H,50,59)(H,51,57)(H4,43,44,45)/t28-,29-,30-,31-,32-/m0/s1
PubChem CID	56666434
ChEMBL	CHEMBL1802425
IUPHAR	N/A
BindingDB	50347830
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	739.0 nM	PMID21623631, PMID22800498	BindingDB,ChEMBL
IC50	8730.0 nM	PMID22800498	BindingDB,ChEMBL

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