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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	CHEMBL3915145
Molecular formula	C27H29N3O7S
IUPAC name	methyl (2S)-1-[2-hydroxy-3-[[2-[[(5-methylfuran-2-yl)-(thiolan-2-yl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]pyrrolidine-2-carboxylate
Molecular weight	539.603
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	3.8
Synonyms	SCHEMBL14904741
Inchi Key	HDQNDRCZSVEGSG-KKXNLOMOSA-N
Inchi ID	InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m0/s1
PubChem CID	71526068
ChEMBL	CHEMBL3915145
IUPHAR	N/A
BindingDB	236807
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	43.0 nM	None	ChEMBL
IC50	171.0 nM	, None	BindingDB,ChEMBL

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