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 1
Species	Rattus norvegicus (Rat)
Gene	Npy1r
Synonym	FC5 neuropeptide Y receptor type 1 NPY-Y1 receptor NPY1-R Y1 receptor Y1-R [ Show all ]
Disease	N/A for non-human GPCRs
Length	382
Amino acid sequence	MNSTLFSRVENYSVHYNVSENSPFLAFENDDCHLPLAVIFTLALAYGAVIILGVSGNLALIIIILKQKEMRNVTNILIVNLSFSDLLVAVMCLPFTFVYTLMDHWVFGETMCKLNPFVQCVSITVSIFSLVLIAVERHQLIINPRGWRPNNRHAYIGITVIWVLAVASSLPFVIYQILTDEPFQNVSLAAFKDKYVCFDKFPSDSHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNNMMDKIRDSKYRSSETKRINVMLLSIVVAFAVCWLPLTIFNTVFDWNHQIIATCNHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCDFRSRDDDYETIAMSTMHTDVSKTSLKQASPVAFKKISMNDNEKI
UniProt	P21555
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2587
IUPHAR	305
DrugBank	N/A

Ligand

Name	UNII-GLZ1WA47Q8
Molecular formula	C22H27Cl2N5O2
IUPAC name	N'-[3-(2,6-dichloro-4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(oxan-4-yl)ethane-1,2-diamine
Molecular weight	464.391
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.3
Synonyms	CP-671906 332178-44-6 N1-(3-(2,6-dichloro-4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N2-(tetrahydro-2H-pyran-4-yl)ethane-1,2-diamine 1,2-Ethanediamine, N-(3-(2,6-dichloro-4-methoxyphenyl)-2,5-dimethylpyrazolo(1,5-a)pyrimidin-7-yl)-N'-(tetrahydro-2H-pyran-4-yl)- CP-671906-01 SCHEMBL7045687 CHEMBL1771259 1,2-Ethanediamine, N1-(3-(2,6-dichloro-4-methoxyphenyl)-2,5-dimethylpyrazolo(1,5-a)pyrimidin-7-yl)-N2-(tetrahydro-2H-pyran-4-yl)- GLZ1WA47Q8 BDBM50342721 [ Show all ]
Inchi Key	CVABPTLRAQIZJU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H27Cl2N5O2/c1-13-10-19(26-7-6-25-15-4-8-31-9-5-15)29-22(27-13)20(14(2)28-29)21-17(23)11-16(30-3)12-18(21)24/h10-12,15,25-26H,4-9H2,1-3H3
PubChem CID	9869041
ChEMBL	CHEMBL1771259
IUPHAR	N/A
BindingDB	50342721
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3.5 nM	PMID21295475	BindingDB,ChEMBL

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