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	C-C chemokine receptor type 3
Species	Homo sapiens (Human)
Gene	CCR3
Synonym	MIP-1alphaRL-2 (mouse) Eosinophil eotaxin receptor CKR3 chemokine (C-C motif) receptor 3 CD193 CCR3 CCR-3 CC-CKR-3 CC CKR3 C-C CKR-3 [ Show all ]
Disease	Allergic asthma Allergic rhinitis Asthma
Length	355
Amino acid sequence	MTTSLDTVETFGTTSYYDDVGLLCEKADTRALMAQFVPPLYSLVFTVGLLGNVVVVMILIKYRRLRIMTNIYLLNLAISDLLFLVTLPFWIHYVRGHNWVFGHGMCKLLSGFYHTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVITSIVTWGLAVLAALPEFIFYETEELFEETLCSALYPEDTVYSWRHFHTLRMTIFCLVLPLLVMAICYTGIIKTLLRCPSKKKYKAIRLIFVIMAVFFIFWTPYNVAILLSSYQSILFGNDCERSKHLDLVMLVTEVIAYSHCCMNPVIYAFVGERFRKYLRHFFHRHLLMHLGRYIPFLPSEKLERTSSVSPSTAEPELSIVF
UniProt	P51677
Protein Data Bank	N/A
GPCR-HGmod model	P51677
3D structure model	This predicted structure model is from GPCR-EXP P51677.
BioLiP	N/A
Therapeutic Target Database	T02752, T85228
ChEMBL	CHEMBL3473
IUPHAR	60
DrugBank	N/A

Ligand

Name	CHEMBL519042
Molecular formula	C30H33FN4O3
IUPAC name	N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-oxido-3-(piperidine-1-carbonyl)pyridin-1-ium-4-carboxamide
Molecular weight	516.617
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.5
Synonyms	N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}-3-(piperidin-1-ylcarbonyl)isonicotinamide 1-oxide BDBM50264212
Inchi Key	SBJLPUIBYIEHFY-CLJLJLNGSA-N
Inchi ID	InChI=1S/C30H33FN4O3/c31-23-7-6-21-14-20(4-5-22(21)15-23)18-35-25-8-9-26(35)17-24(16-25)32-29(36)27-10-13-34(38)19-28(27)30(37)33-11-2-1-3-12-33/h4-7,10,13-15,19,24-26H,1-3,8-9,11-12,16-18H2,(H,32,36)/t25-,26-/m1/s1
PubChem CID	44579713
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50264212
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	23.0 nM	PMID19620010, PMID18752960	BindingDB

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