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	Prolactin-releasing peptide receptor
Species	Homo sapiens (Human)
Gene	PRLHR
Synonym	PrRP receptor hGR3 GPR10 G-protein coupled receptor 10 G protein-coupled receptor 10 PrRPR [ Show all ]
Disease	N/A
Length	370
Amino acid sequence	MASSTTRGPRVSDLFSGLPPAVTTPANQSAEASAGNGSVAGADAPAVTPFQSLQLVHQLKGLIVLLYSVVVVVGLVGNCLLVLVIARVRRLHNVTNFLIGNLALSDVLMCTACVPLTLAYAFEPRGWVFGGGLCHLVFFLQPVTVYVSVFTLTTIAVDRYVVLVHPLRRRISLRLSAYAVLAIWALSAVLALPAAVHTYHVELKPHDVRLCEEFWGSQERQRQLYAWGLLLVTYLLPLLVILLSYVRVSVKLRNRVVPGCVTQSQADWDRARRRRTFCLLVVIVVVFAVCWLPLHVFNLLRDLDPHAIDPYAFGLVQLLCHWLAMSSACYNPFIYAWLHDSFREELRKLLVAWPRKIAPHGQNMTVSVVI
UniProt	P49683
Protein Data Bank	N/A
GPCR-HGmod model	P49683
3D structure model	This predicted structure model is from GPCR-EXP P49683.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1681611
IUPHAR	337
DrugBank	N/A

Ligand

Name	SCHEMBL435859
Molecular formula	C27H24ClF3N4O2
IUPAC name	3-but-2-ynyl-6-(4-chlorobenzoyl)-2-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
Molecular weight	528.96
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.3
Synonyms	US9206173, 2409 CHEMBL3734014 BDBM195647
Inchi Key	QLXSZTKJEPKLTH-KRWDZBQOSA-N
Inchi ID	InChI=1S/C27H24ClF3N4O2/c1-3-4-14-35-25(37)22-16-34(24(36)19-7-11-21(28)12-8-19)15-13-23(22)33-26(35)32-17(2)18-5-9-20(10-6-18)27(29,30)31/h5-12,17H,13-16H2,1-2H3,(H,32,33)/t17-/m0/s1
PubChem CID	66685761
ChEMBL	CHEMBL3734014
IUPHAR	N/A
BindingDB	195647
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2440.0 nM	, None	BindingDB,ChEMBL
Ki	16.0 nM	, None	BindingDB,ChEMBL

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