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Name | C-X-C chemokine receptor type 2 |
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Species | Homo sapiens (Human) |
Gene | CXCR2 |
Synonym | chemokine (C-X-C motif) receptor 2 KC receptor CD128 IL8RB IL-8R2 [ Show all ] |
Disease | Cystic fibrosis; Chronic obstructive pulmonary disease Asthma Cancer Ischemia-reperfusion injury; Lung transplantation; Graft rejection in heart transplantation Fungal infections [ 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 |
Name | CHEMBL257178 |
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Molecular formula | C20H15F4N3O3S |
IUPAC name | 4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(trifluoromethylsulfonyl)butanamide |
Molecular weight | 453.412 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 4.2 |
Synonyms | BDBM50236303 4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(trifluoromethylsulfonyl)butanamide |
Inchi Key | GVMNNUOOILCXIW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H15F4N3O3S/c21-14-7-5-13(6-8-14)19-15(16-10-12(11-25)4-9-17(16)26-19)2-1-3-18(28)27-31(29,30)20(22,23)24/h4-10,26H,1-3H2,(H,27,28) |
PubChem CID | 44447923 |
ChEMBL | CHEMBL257178 |
IUPHAR | N/A |
BindingDB | 50236303 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 70.0 nM | PMID18308567 | BindingDB,ChEMBL |
IC50 | 87.0 nM | PMID18308567 | BindingDB,ChEMBL |
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