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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	CHEMBL2349184
Molecular formula	C18H22N4O4S2
IUPAC name	5-benzylsulfonyl-7-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
Molecular weight	422.518
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	2.7
Synonyms	BDBM50432462
Inchi Key	SAJPPXKBUXNTKQ-CYBMUJFWSA-N
Inchi ID	InChI=1S/C18H22N4O4S2/c1-11(2)8-13(9-23)19-15-14-16(22-18(24)27-14)21-17(20-15)28(25,26)10-12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H2,19,20,21,22,24)/t13-/m1/s1
PubChem CID	71624890
ChEMBL	CHEMBL2349184
IUPHAR	N/A
BindingDB	50432462
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	110.0 nM	PMID23516963	BindingDB,ChEMBL

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