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GLASS

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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	CHEMBL50591
Molecular formula	C24H35N3O
IUPAC name	N-[4-[(2S,7R)-4,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),11(15),12-trien-4-yl]butyl]cyclohexanecarboxamide
Molecular weight	381.564
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.3
Synonyms	N-[4-[(6aR)-4,5,6abeta,7,8,9,10,10abeta-Octahydropyrido[4,3-b]pyrrolo[3,2,1-hi]indole-9-yl]butyl]cyclohexanecarboxamide SCHEMBL18840699 BDBM50115046 Cyclohexanecarboxylic acid [(6aR,10aS)-4-(4,5,7,8,10,10a-hexahydro-6aH-pyrido[4,3-b]pyrrolo[3,2,1-hi]indol-9-yl)-butyl]-amide
Inchi Key	AOIYRGJEOWHRNF-FGZHOGPDSA-N
Inchi ID	InChI=1S/C24H35N3O/c28-24(19-7-2-1-3-8-19)25-13-4-5-14-26-15-12-22-21(17-26)20-10-6-9-18-11-16-27(22)23(18)20/h6,9-10,19,21-22H,1-5,7-8,11-17H2,(H,25,28)/t21-,22-/m1/s1
PubChem CID	44295408
ChEMBL	CHEMBL50591
IUPHAR	N/A
BindingDB	50115046
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	11000.0 nM	PMID12067561	BindingDB,ChEMBL
Inhibition	45.0 %	PMID12067561	ChEMBL

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