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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.
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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	CHEMBL496452
Molecular formula	C29H46O5
IUPAC name	[(1R,2S,5S,7R,8S,11R,14R,15R,17R)-5,7-dihydroxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-9-en-8-yl] acetate
Molecular weight	474.682
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.3
Synonyms	9alpha,11alpha-epoxycholest-7-ene-3beta,5alpha,6alpha-triol 6-acetate 19-Deoxydysideasterol A BDBM50269198
Inchi Key	CEJPYZZCYLZKRP-ANNVCDRBSA-N
Inchi ID	InChI=1S/C29H46O5/c1-17(2)8-7-9-18(3)21-10-11-22-23-14-24(33-19(4)30)28(32)15-20(31)12-13-27(28,6)29(23)25(34-29)16-26(21,22)5/h14,17-18,20-22,24-25,31-32H,7-13,15-16H2,1-6H3/t18-,20+,21-,22+,24+,25-,26-,27+,28+,29+/m1/s1
PubChem CID	11798740
ChEMBL	CHEMBL496452
IUPHAR	N/A
BindingDB	50269198
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4500.0 nM	PMID10843593	BindingDB,ChEMBL

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