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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	CHEMBL27446
Molecular formula	C14H9BrClN3O2
IUPAC name	1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea
Molecular weight	366.599
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	3.2
Synonyms	676124-39-3 1-(2-Bromo-phenyl)-3-(3-chloro-4-cyano-2-hydroxy-phenyl)-urea SCHEMBL7553831 BDBM50140795 CTK1H7252 Urea, N-(2-bromophenyl)-N'-(3-chloro-4-cyano-2-hydroxyphenyl)- DTXSID00459998 [ Show all ]
Inchi Key	DBRVLDHXULWYPR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H9BrClN3O2/c15-9-3-1-2-4-10(9)18-14(21)19-11-6-5-8(7-17)12(16)13(11)20/h1-6,20H,(H2,18,19,21)
PubChem CID	11245544
ChEMBL	CHEMBL27446
IUPHAR	N/A
BindingDB	50140795
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	4200.0 nM	PMID14998320	BindingDB,ChEMBL

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