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 2
Species	Homo sapiens (Human)
Gene	NPY2R
Synonym	NPY2-R NPY-Y2 receptor neuropeptide Y receptor type 2 Y2 receptor
Disease	Diabetes Metabolic disorders Obesity
Length	381
Amino acid sequence	MGPIGAEADENQTVEEMKVEQYGPQTTPRGELVPDPEPELIDSTKLIEVQVVLILAYCSIILLGVIGNSLVIHVVIKFKSMRTVTNFFIANLAVADLLVNTLCLPFTLTYTLMGEWKMGPVLCHLVPYAQGLAVQVSTITLTVIALDRHRCIVYHLESKISKRISFLIIGLAWGISALLASPLAIFREYSLIEIIPDFEIVACTEKWPGEEKSIYGTVYSLSSLLILYVLPLGIISFSYTRIWSKLKNHVSPGAANDHYHQRRQKTTKMLVCVVVVFAVSWLPLHAFQLAVDIDSQVLDLKEYKLIFTVFHIIAMCSTFANPLLYGWMNSNYRKAFLSAFRCEQRLDAIHSEVSVTFKAKKNLEVRKNSGPNDSFTEATNV
UniProt	P49146
Protein Data Bank	N/A
GPCR-HGmod model	P49146
3D structure model	This predicted structure model is from GPCR-EXP P49146.
BioLiP	N/A
Therapeutic Target Database	T10670
ChEMBL	CHEMBL4018
IUPHAR	306
DrugBank	BE0002419

Ligand

Name	MLS000582311
Molecular formula	C28H26N2O3S
IUPAC name	3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide
Molecular weight	470.587
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	6.0
Synonyms	API0008524 MFCD06623281 NCGC00485111-01 CHEMBL1427860 MolPort-002-283-249 SF-22, >=98% (HPLC) 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide AC1M41AG HMS2442J16 N-[1,1 inverted exclamation marka-Biphenyl]-2-yl-3-[[(2,5-dimethylphenyl)amino]sulfonyl]-4-methyl-benzamide STL100705 BDBM42524 REGID_for_CID_2223246 cid_2223246 N-(biphenyl-2-yl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide SID 17413034 AKOS000378146 MCULE-3226813305 N-[1,1'-Biphenyl]-2-yl-3-[[(2,5-dimethylphenyl)amino]sulfonyl]-4-methyl-benzamide ZINC2870496 MLS002547616 SCHEMBL15919821 824981-55-7 DTXSID60367060 N-2-biphenylyl-3-{[(2,5-dimethylphenyl)amino]sulfonyl}-4-methylbenzamide SMR000200850 [ Show all ]
Inchi Key	BWWPVIRXNOWQSI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H26N2O3S/c1-19-13-14-20(2)26(17-19)30-34(32,33)27-18-23(16-15-21(27)3)28(31)29-25-12-8-7-11-24(25)22-9-5-4-6-10-22/h4-18,30H,1-3H3,(H,29,31)
PubChem CID	2223246
ChEMBL	CHEMBL1427860
IUPHAR	N/A
BindingDB	42524
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	298.0 nM	PubChem BioAssay data set	ChEMBL
IC50	440.0 nM	PMID22607676, PMID24365162	BindingDB,ChEMBL

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