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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	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	SCHEMBL1198311
Molecular formula	C17H16Cl2FN3O4S
IUPAC name	1-(2-chloro-3-fluorophenyl)-3-[4-chloro-2-hydroxy-3-[(3R)-pyrrolidin-3-yl]sulfonylphenyl]urea
Molecular weight	448.29
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	3.0
Synonyms	CHEMBL3966527
Inchi Key	CRHQLGHPEWNKIT-SECBINFHSA-N
Inchi ID	InChI=1S/C17H16Cl2FN3O4S/c18-10-4-5-13(15(24)16(10)28(26,27)9-6-7-21-8-9)23-17(25)22-12-3-1-2-11(20)14(12)19/h1-5,9,21,24H,6-8H2,(H2,22,23,25)/t9-/m1/s1
PubChem CID	57649038
ChEMBL	CHEMBL3966527
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
IC50	>30000.0 nM	None	ChEMBL

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