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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 | CHEMBL2349331 |
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Molecular formula | C19H22N6OS2 |
IUPAC name | 4-[[2-amino-7-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanylmethyl]benzonitrile |
Molecular weight | 414.546 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 4.1 |
Synonyms | BDBM50432430 SCHEMBL5234921 |
Inchi Key | VBVKLKIBLYIAFT-CQSZACIVSA-N |
Inchi ID | InChI=1S/C19H22N6OS2/c1-11(2)7-14(9-26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-10-13-5-3-12(8-20)4-6-13/h3-6,11,14,26H,7,9-10H2,1-2H3,(H3,21,22,23,24,25)/t14-/m1/s1 |
PubChem CID | 71625390 |
ChEMBL | CHEMBL2349331 |
IUPHAR | N/A |
BindingDB | 50432430 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 258.0 nM | PMID23516963 | BindingDB,ChEMBL |
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