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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.
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GPCR

Name	CX3C chemokine receptor 1
Species	Homo sapiens (Human)
Gene	CX3CR1
Synonym	Beta chemokine receptor-like 1 Rbs11 GPR13 G-protein coupled receptor 13 Fractalkine receptor CX3CR1 CMKDR1 CMKBRL1 CMK-BRL1 CMK-BRL-1 chemokine (C-X3-C motif) receptor 1 CCRL1 C-X3-C CKR-1 V28 [ Show all ]
Disease	N/A
Length	355
Amino acid sequence	MDQFPESVTENFEYDDLAEACYIGDIVVFGTVFLSIFYSVIFAIGLVGNLLVVFALTNSKKPKSVTDIYLLNLALSDLLFVATLPFWTHYLINEKGLHNAMCKFTTAFFFIGFFGSIFFITVISIDRYLAIVLAANSMNNRTVQHGVTISLGVWAAAILVAAPQFMFTKQKENECLGDYPEVLQEIWPVLRNVETNFLGFLLPLLIMSYCYFRIIQTLFSCKNHKKAKAIKLILLVVIVFFLFWTPYNVMIFLETLKLYDFFPSCDMRKDLRLALSVTETVAFSHCCLNPLIYAFAGEKFRRYLYHLYGKCLAVLCGRSVHVDFSSSESQRSRHGSVLSSNFTYHTSDGDALLLL
UniProt	P49238
Protein Data Bank	N/A
GPCR-HGmod model	P49238
3D structure model	This predicted structure model is from GPCR-EXP P49238.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4843
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL2349180
Molecular formula	C18H22ClN5O2S2
IUPAC name	5-[(1S)-1-(4-chloropyridin-2-yl)ethyl]sulfanyl-7-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
Molecular weight	439.977
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	4.0
Synonyms	BDBM50432466
Inchi Key	UDGYWARCEKJDIJ-CMPLNLGQSA-N
Inchi ID	InChI=1S/C18H22ClN5O2S2/c1-9(2)6-12(8-25)21-15-14-16(24-18(26)28-14)23-17(22-15)27-10(3)13-7-11(19)4-5-20-13/h4-5,7,9-10,12,25H,6,8H2,1-3H3,(H2,21,22,23,24,26)/t10-,12+/m0/s1
PubChem CID	71718998
ChEMBL	CHEMBL2349180
IUPHAR	N/A
BindingDB	50432466
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	5.8 nM	PMID23516963	BindingDB,ChEMBL

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