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 5
Species	Homo sapiens (Human)
Gene	NPY5R
Synonym	NPYY5-R NPY5-R NPY-Y5 receptor neuropeptide Y receptor type 5 food intake receptor Y5 receptor [ Show all ]
Disease	Eating disorder; Obesity Eating disorder; Obesity; Diabetes Major depressive disorder Obesity
Length	445
Amino acid sequence	MDLELDEYYNKTLATENNTAATRNSDFPVWDDYKSSVDDLQYFLIGLYTFVSLLGFMGNLLILMALMKKRNQKTTVNFLIGNLAFSDILVVLFCSPFTLTSVLLDQWMFGKVMCHIMPFLQCVSVLVSTLILISIAIVRYHMIKHPISNNLTANHGYFLIATVWTLGFAICSPLPVFHSLVELQETFGSALLSSRYLCVESWPSDSYRIAFTISLLLVQYILPLVCLTVSHTSVCRSISCGLSNKENRLEENEMINLTLHPSKKSGPQVKLSGSHKWSYSFIKKHRRRYSKKTACVLPAPERPSQENHSRILPENFGSVRSQLSSSSKFIPGVPTCFEIKPEENSDVHELRVKRSVTRIKKRSRSVFYRLTILILVFAVSWMPLHLFHVVTDFNDNLISNRHFKLVYCICHLLGMMSCCLNPILYGFLNNGIKADLVSLIHCLHM
UniProt	Q15761
Protein Data Bank	N/A
GPCR-HGmod model	Q15761
3D structure model	This predicted structure model is from GPCR-EXP Q15761.
BioLiP	N/A
Therapeutic Target Database	T20331
ChEMBL	CHEMBL4561
IUPHAR	308
DrugBank	N/A

Ligand

Name	CHEMBL138172
Molecular formula	C20H22N4O
IUPAC name	1-(2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)ethanone
Molecular weight	334.423
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.5
Synonyms	BDBM50093612 SCHEMBL5771079 1-(2-Methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-ethanone
Inchi Key	CDMOJXHGXUKXGK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N4O/c1-13(25)16-17(15-9-5-3-6-10-15)23-19-18(16)21-14(2)22-20(19)24-11-7-4-8-12-24/h3,5-6,9-10,23H,4,7-8,11-12H2,1-2H3
PubChem CID	10640471
ChEMBL	CHEMBL138172
IUPHAR	N/A
BindingDB	50093612
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	5100.0 nM	PMID11063624	BindingDB,ChEMBL

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