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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	C-X-C chemokine receptor type 1
Species	Homo sapiens (Human)
Gene	CXCR1
Synonym	CDw128a IL8RA IL-8R A IL-8 receptor type I IL-8 receptor type 1 IL-8 receptor alpha High affinity interleukin-8 receptor A CXCR1-like CXCR-1 CXC-R1 CKR-1 CD181 CXCR1 [ Show all ]
Disease	N/A
Length	350
Amino acid sequence	MSNITDPQMWDFDDLNFTGMPPADEDYSPCMLETETLNKYVVIIAYALVFLLSLLGNSLVMLVILYSRVGRSVTDVYLLNLALADLLFALTLPIWAASKVNGWIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYLAIVHATRTLTQKRHLVKFVCLGCWGLSMNLSLPFFLFRQAYHPNNSSPVCYEVLGNDTAKWRMVLRILPHTFGFIVPLFVMLFCYGFTLRTLFKAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLADTLMRTQVIQESCERRNNIGRALDATEILGFLHSCLNPIIYAFIGQNFRHGFLKILAMHGLVSKEFLARHRVTSYTSSSVNVSSNL
UniProt	P25024
Protein Data Bank	N/A
GPCR-HGmod model	P25024
3D structure model	This predicted structure model is from GPCR-EXP P25024.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4029
IUPHAR	68
DrugBank	BE0003552

Ligand

Name	CHEMBL464301
Molecular formula	C21H18F3N3O4
IUPAC name	3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight	433.387
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	3.8
Synonyms	BDBM50248544 SCHEMBL12262411 (S)-3-(3,4-dioxo-2-(2,2,2-trifluoro-1-phenylethylamino)cyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi Key	IPLGVPPLWIAZSG-IBGZPJMESA-N
Inchi ID	InChI=1S/C21H18F3N3O4/c1-27(2)20(31)12-9-6-10-13(16(12)28)25-14-15(18(30)17(14)29)26-19(21(22,23)24)11-7-4-3-5-8-11/h3-10,19,25-26,28H,1-2H3/t19-/m0/s1
PubChem CID	44565148
ChEMBL	CHEMBL464301
IUPHAR	N/A
BindingDB	50248544
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	40.0 nM	PMID19196511	BindingDB,ChEMBL

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