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GLASS

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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.
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GPCR

Name	Probable C-C chemokine receptor type 3
Species	Mus musculus (Mouse)
Gene	Ccr3
Synonym	CC-CKR-3 MIP-1alphaRL-2 (mouse) MIP-1 alpha RL2 Macrophage inflammatory protein 1-alpha receptor-like 2 CKR3 chemokine (C-C motif) receptor 3 CC CKR3 CD193 CCR3 CCR-3 C-C CKR-3 [ Show all ]
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MAFNTDEIKTVVESFETTPYEYEWAPPCEKVRIKELGSWLLPPLYSLVFIIGLLGNMMVVLILIKYRKLQIMTNIYLFNLAISDLLFLFTVPFWIHYVLWNEWGFGHYMCKMLSGFYYLALYSEIFFIILLTIDRYLAIVHAVFALRARTVTFATITSIITWGLAGLAALPEFIFHESQDSFGEFSCSPRYPEGEEDSWKRFHALRMNIFGLALPLLIMVICYSGIIKTLLRCPNKKKHKAIRLIFVVMIVFFIFWTPYNLVLLFSAFHSTFLETSCQQSKHLDLAMQVTEVIAYTHCCINPVIYAFVGERFRKHLRLFFHRNVAVYLGKYIPFLPGEKMERTSSVSPSTGEQEISVVF
UniProt	P51678
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	CHEMBL3406
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	UNII-PON9OFP69G
Molecular formula	C25H32FN7O2
IUPAC name	1-[(2R,3S)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxybutan-2-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Molecular weight	481.576
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	2.9
Synonyms	PON9OFP69G BMS-639623 Urea, N-((1R,2S)-3-((3S)-3-((4-fluorophenyl)methyl)-1-piperidinyl)-2-hydroxy-1-methylpropyl)-N'-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)- 1-((2R,3S)-4-((S)-3-(4-fluorobenzyl)piperidin-1-yl)-3-hydroxybutan-2-yl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea JTVSGNGYUGCQJP-FHJLPGHOSA-N 675122-44-8 SCHEMBL5561408 1-{(1R,2S)-3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-2-hydroxy-1-methyl-propyl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea N-{(1R,2S)-3-[(3S)-3-(4-fluorobenzyl)-1-piperidinyl]-2-hydroxy-1-methylpropyl}-N'-[3-(1-methyl-1H-tetraazol-5-yl)phenyl]urea BDBM50231358 CHEMBL399495 [ Show all ]
Inchi Key	JTVSGNGYUGCQJP-FHJLPGHOSA-N
Inchi ID	InChI=1S/C25H32FN7O2/c1-17(27-25(35)28-22-7-3-6-20(14-22)24-29-30-31-32(24)2)23(34)16-33-12-4-5-19(15-33)13-18-8-10-21(26)11-9-18/h3,6-11,14,17,19,23,34H,4-5,12-13,15-16H2,1-2H3,(H2,27,28,35)/t17-,19+,23+/m1/s1
PubChem CID	10050884
ChEMBL	CHEMBL399495
IUPHAR	N/A
BindingDB	50231358
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	31.0 nM	PMID18096386	BindingDB,ChEMBL

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