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	Neuropeptide Y receptor type 4
Species	Homo sapiens (Human)
Gene	NPY4R
Synonym	NPY4-R neuropeptide Y receptor type 4 pancreatic polypeptide receptor 1 PP1 Y4 receptor
Disease	Obesity Diabetes Schizophrenia
Length	375
Amino acid sequence	MNTSHLLALLLPKSPQGENRSKPLGTPYNFSEHCQDSVDVMVFIVTSYSIETVVGVLGNLCLMCVTVRQKEKANVTNLLIANLAFSDFLMCLLCQPLTAVYTIMDYWIFGETLCKMSAFIQCMSVTVSILSLVLVALERHQLIINPTGWKPSISQAYLGIVLIWVIACVLSLPFLANSILENVFHKNHSKALEFLADKVVCTESWPLAHHRTIYTTFLLLFQYCLPLGFILVCYARIYRRLQRQGRVFHKGTYSLRAGHMKQVNVVLVVMVVAFAVLWLPLHVFNSLEDWHHEAIPICHGNLIFLVCHLLAMASTCVNPFIYGFLNTNFKKEIKALVLTCQQSAPLEESEHLPLSTVHTEVSKGSLRLSGRSNPI
UniProt	P50391
Protein Data Bank	N/A
GPCR-HGmod model	P50391
3D structure model	This predicted structure model is from GPCR-EXP P50391.
BioLiP	N/A
Therapeutic Target Database	T27944
ChEMBL	CHEMBL4877
IUPHAR	307
DrugBank	BE0002418

Ligand

Name	CID 73443032
Molecular formula	C90H112N18O16
IUPAC name	1-N-[2-[2-[[4-[2-[2-[2-[[(Z)-[amino-[[(4S)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]amino]methylidene]carbamoyl]amino]ethoxy]ethoxy]ethylcarbamoyl]benzoyl]amino]ethyl-(2-aminoethyl)amino]ethyl]-4-N-[2-[2-[2-[[N-[(4S)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]carbamoylamino]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide
Molecular weight	1702.0
Hydrogen bond acceptor	19
Hydrogen bond donor	18
XlogP	5.5
Synonyms	N/A
Inchi Key	LWSIXIMCXWLGDB-KAUZTFBMSA-N
Inchi ID	InChI=1S/C90H112N18O16/c91-41-50-108(51-44-94-79(111)69-29-33-71(34-30-69)81(113)96-46-53-121-57-59-123-55-48-100-89(119)106-87(92)98-42-13-23-75(83(115)102-61-63-25-37-73(109)38-26-63)104-85(117)77(65-15-5-1-6-16-65)66-17-7-2-8-18-66)52-45-95-80(112)70-31-35-72(36-32-70)82(114)97-47-54-122-58-60-124-56-49-101-90(120)107-88(93)99-43-14-24-76(84(116)103-62-64-27-39-74(110)40-28-64)105-86(118)78(67-19-9-3-10-20-67)68-21-11-4-12-22-68/h1-12,15-22,25-40,75-78,109-110H,13-14,23-24,41-62,91H2,(H,94,111)(H,95,112)(H,96,113)(H,97,114)(H,102,115)(H,103,116)(H,104,117)(H,105,118)(H4,92,98,100,106,119)(H4,93,99,101,107,120)/t75-,76-/m0/s1
PubChem CID	73443032
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50442577
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	260.0 nM	PMID24074877	BindingDB

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