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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 | CHEMBL274737 |
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Molecular formula | C16H19N5OS2 |
IUPAC name | (2R)-2-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]butan-1-ol |
Molecular weight | 361.482 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 3.6 |
Synonyms | (R)-2-(2-amino-5-(benzylthio)thiazolo[4,5-d]pyrimidin-7-ylamino)butan-1-ol BDBM50177607 NPKHWEBWIFDKHH-LLVKDONJSA-N (R)-2-[[2-Amino-5-[(phenylmethyl)thio]thiazolo[4,5-d]pyrimidin-7-yl]amino]-1-butanol SCHEMBL842570 |
Inchi Key | NPKHWEBWIFDKHH-LLVKDONJSA-N |
Inchi ID | InChI=1S/C16H19N5OS2/c1-2-11(8-22)18-13-12-14(19-15(17)24-12)21-16(20-13)23-9-10-6-4-3-5-7-10/h3-7,11,22H,2,8-9H2,1H3,(H3,17,18,19,20,21)/t11-/m1/s1 |
PubChem CID | 9885291 |
ChEMBL | CHEMBL274737 |
IUPHAR | N/A |
BindingDB | 50177607 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 120.0 nM | PMID16297626 | BindingDB,ChEMBL |
Ki | 160.0 nM | PMID23516963 | BindingDB,ChEMBL |
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