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	CHEMBL253209
Molecular formula	C25H32FN7O
IUPAC name	1-[(1R,2S)-2-[[3-(4-fluorophenyl)propylamino]methyl]cyclohexyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Molecular weight	465.577
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.5
Synonyms	BDBM50231370 1-((1R,2S)-2-((3-(4-fluorophenyl)propylamino)methyl)cyclohexyl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea BIHUZMHUADUJOS-NZQKXSOJSA-N N-((1R,2S)-2-{[[3-(4-fluorophenyl)propyl]amino]methyl}cyclohexyl)-N'-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]urea SCHEMBL5380562
Inchi Key	BIHUZMHUADUJOS-NZQKXSOJSA-N
Inchi ID	InChI=1S/C25H32FN7O/c1-33-24(30-31-32-33)19-8-4-9-22(16-19)28-25(34)29-23-10-3-2-7-20(23)17-27-15-5-6-18-11-13-21(26)14-12-18/h4,8-9,11-14,16,20,23,27H,2-3,5-7,10,15,17H2,1H3,(H2,28,29,34)/t20-,23+/m0/s1
PubChem CID	11213457
ChEMBL	CHEMBL253209
IUPHAR	N/A
BindingDB	50231370
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	3.7 nM	PMID18160284	BindingDB,ChEMBL

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