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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	CHEMBL2349317
Molecular formula	C19H22N6OS2
IUPAC name	3-[(1S)-1-[[2-amino-7-[[(2R)-1-hydroxypentan-2-yl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethyl]benzonitrile
Molecular weight	414.546
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	4.1
Synonyms	BDBM50432470 SCHEMBL215277
Inchi Key	PNKYTKPWPKRAKI-SMDDNHRTSA-N
Inchi ID	InChI=1S/C19H22N6OS2/c1-3-5-14(10-26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-11(2)13-7-4-6-12(8-13)9-20/h4,6-8,11,14,26H,3,5,10H2,1-2H3,(H3,21,22,23,24,25)/t11-,14+/m0/s1
PubChem CID	71625625
ChEMBL	CHEMBL2349317
IUPHAR	N/A
BindingDB	50432470
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	42.0 nM	PMID23516963	BindingDB,ChEMBL

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