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	CHEMBL500786
Molecular formula	C29H36F3N3O6S2
IUPAC name	tert-butyl N-[2-[[2-[[(1S,2R)-2-[(4-methylsulfanylphenyl)sulfonylmethyl]cyclohexyl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate
Molecular weight	643.737
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	5.7
Synonyms	tert-butyl 2-(2-((1S,2R)-2-((4-(methylthio)phenylsulfonyl)methyl)cyclohexylamino)-2-oxoethylcarbamoyl)-4-(trifluoromethyl)phenylcarbamate BDBM50268417 SCHEMBL2996021
Inchi Key	AQNFYKDVSLJZMX-MBSDFSHPSA-N
Inchi ID	InChI=1S/C29H36F3N3O6S2/c1-28(2,3)41-27(38)35-24-14-9-19(29(30,31)32)15-22(24)26(37)33-16-25(36)34-23-8-6-5-7-18(23)17-43(39,40)21-12-10-20(42-4)11-13-21/h9-15,18,23H,5-8,16-17H2,1-4H3,(H,33,37)(H,34,36)(H,35,38)/t18-,23-/m0/s1
PubChem CID	10153431
ChEMBL	CHEMBL500786
IUPHAR	N/A
BindingDB	50268417
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	9.4 %	PMID19481449	ChEMBL

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