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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	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	(R)-Ketoprofen
Molecular formula	C16H14O3
IUPAC name	(2R)-2-(3-benzoylphenyl)propanoic acid
Molecular weight	254.285
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.1
Synonyms	AKOS022182275 D0ZL4F NCGC00015578-06 (-)-3-Benzoyl-\|A-methylbenzeneacetic Acid (R)-2-(3-Benzoylphenyl)propionic acid Benzeneacetic acid,3-benzoyl-a-methyl-, (aR)- enzeneacetic acid, 3-benzoyl-alpha-methyl-, (R)- S03709D0TH (2R)-2-(3-Benzoylphenyl)propionic Acid (R)-Ketoprophen AC1L47D6 CHEMBL372052 Lopac-K-1751 UNII-S03709D0TH (-)-2-(3-Benzoylphenyl)propionic Acid (R)-2-(3-Benzoyl-phenyl)-propionic acid B1446 DKYWVDODHFEZIM-LLVKDONJSA-N NCGC00016757-01 (-)-Ketoprofen (R)-3-Benzoyl-\|A-methylphenylacetic Acid CAS-22071-15-4 FT-0670647 SCHEMBL195303 (R)-(-)-2-(3-benzoylphenyl)propionic acid (\|AR)-3-Benzoyl-\|A-methylbenzeneacetic Acid AJ-08153 CTK5A4646 NCGC00015578-01 ZINC2272 (-)-3-Benzoyl-alpha-methylbenzeneacetic acid (R)-2-(3-benzoylphenyl)propanoic acid BDBM50169048 DTXSID50204652 R-KETOPROFEN (2R)-2-(3-benzoylphenyl)propanoic acid Ketoprofen, (R)- UNII-90Y4QC304K component DKYWVDODHFEZIM-LLVKDONJSA-N (R)-(-)-Ketoprofen 56105-81-8 [ Show all ]
Inchi Key	DKYWVDODHFEZIM-LLVKDONJSA-N
Inchi ID	InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1
PubChem CID	180540
ChEMBL	CHEMBL372052
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	64.0 %	PMID21615150	ChEMBL

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