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	Rattus norvegicus (Rat)
Gene	Ccr3
Synonym	CKR3 chemokine (C-C motif) receptor 3 CD193 CCR3 CCR-3 CC-CKR-3 CC CKR3 C-C CKR-3 MIP-1alphaRL-2 (mouse) [ Show all ]
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MASNEEELKTVVETFETTPYEYEWAPPCEKVSIRELGSWLLPPLYSLVFIVGLLGNMMVVLILIKYRKLQIMTNIYLLNLAISDLLFLFTVPFWIHYVLWNEWGFGHCMCKMLSGLYYLALYSEIFFIILLTIDRYLAIVHAVLALRARTVTFATITSIITWGFAVLAALPEFIFHESQDNFGDLSCSPRYPEGEEDSWKRFHALRMNIFGLALPLLIMVICYSGIIKTLLRCPNKKKHKAIQLIFVVMIVFFIFWTPYNLVLLLSAFHSTFLETSCQQSIHLDLAMQVTEVITHTHCCINPIIYAFVGERFRKHLRLFFHRNVAIYLRKYISFLPGEKLERTSSVSPSTGEQEISVVF
UniProt	O54814
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3928
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL3355947
Molecular formula	C25H31FN2OS
IUPAC name	2-ethyl-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-6-methoxy-1H-indole
Molecular weight	426.594
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	6.1
Synonyms	BDBM50041188
Inchi Key	LQECSCQKFZFLPJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H31FN2OS/c1-3-23-25(22-10-7-20(29-2)17-24(22)27-23)18-11-14-28(15-12-18)13-4-16-30-21-8-5-19(26)6-9-21/h5-10,17-18,27H,3-4,11-16H2,1-2H3
PubChem CID	118721197
ChEMBL	CHEMBL3355947
IUPHAR	N/A
BindingDB	50041188
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
Ki	3700.0 nM	PMID25497216	BindingDB,ChEMBL

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