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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	C-X-C chemokine receptor type 2
Species	Homo sapiens (Human)
Gene	CXCR2
Synonym	chemokine (C-X-C motif) receptor 2 KC receptor CD128 IL8RB IL-8R2 IL-8R B IL-8 receptor type 2 High affinity interleukin-8 receptor B GRO/MGSA receptor Gpcr16 CD182 CDw128b CXCR2 CXCR-2 CXC-R2 [ Show all ]
Disease	Cystic fibrosis; Chronic obstructive pulmonary disease Asthma Cancer Ischemia-reperfusion injury; Lung transplantation; Graft rejection in heart transplantation Fungal infections Chronic obstructive pulmonary disease [ Show all ]
Length	360
Amino acid sequence	MEDFNMESDSFEDFWKGEDLSNYSYSSTLPPFLLDAAPCEPESLEINKYFVVIIYALVFLLSLLGNSLVMLVILYSRVGRSVTDVYLLNLALADLLFALTLPIWAASKVNGWIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYLAIVHATRTLTQKRYLVKFICLSIWGLSLLLALPVLLFRRTVYSSNVSPACYEDMGNNTANWRMLLRILPQSFGFIVPLLIMLFCYGFTLRTLFKAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLADTLMRTQVIQETCERRNHIDRALDATEILGILHSCLNPLIYAFIGQKFRHGLLKILAIHGLISKDSLPKDSRPSFVGSSSGHTSTTL
UniProt	P25025
Protein Data Bank	N/A
GPCR-HGmod model	P25025
3D structure model	This predicted structure model is from GPCR-EXP P25025.
BioLiP	N/A
Therapeutic Target Database	T56923
ChEMBL	CHEMBL2434
IUPHAR	69
DrugBank	N/A

Ligand

Name	1103458-91-8
Molecular formula	C29H30N6O3
IUPAC name	4-(6-methoxypyridin-3-yl)-N-[2-methyl-3-[(6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]phenyl]benzamide
Molecular weight	510.598
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.7
Synonyms	BDBM50412987 ZINC40917971 PB11309 BENZAMIDE, 4-(6-METHOXY-3-PYRIDINYL)-N-[2-METHYL-3-[[6-OXO-4-(1-PIPERAZINYL)-1(6H)-PYRIDAZINYL]METHYL]PHENYL]- 4-(6-Methoxy-3-pyridyl)-N-[2-methyl-3-[(6-oxo-4-piperazin-1-yl-pyridazin-1-yl)methyl]phenyl]benzamide CHEMBL475965 AKOS025291374 SCHEMBL1162246 Benzamide,4-(6-methoxy-3-pyridinyl)-N-[2-methyl-3-[[6-oxo-4-(1-piperazinyl)-1(6H)-pyridazinyl]methyl]phenyl]- 4-(6-Methoxypyridin-3-yl)-N-(2-methyl-3-((6-oxo-4-(piperazin-1-yl)pyridazin-1(6H)-yl)methyl)phenyl)benzamide KB-74940 [ Show all ]
Inchi Key	IFWGJAXMPXZADJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)
PubChem CID	25209705
ChEMBL	CHEMBL475965
IUPHAR	N/A
BindingDB	50412987
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	30.0 %	PMID19146417	ChEMBL

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