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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 | CHEMBL2349319 |
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Molecular formula | C20H27N5O3S3 |
IUPAC name | (2R)-2-[[2-amino-5-[(1S)-1-(3-methylsulfonylphenyl)ethyl]sulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol |
Molecular weight | 481.648 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 3 |
XlogP | 4.0 |
Synonyms | BDBM50432468 SCHEMBL213021 (2R)-2-{[2-Amino-5-({(1S)-1-[3-(methylsulfonyl)phenyl]ethyl}thio)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino}-4-methylpentan-1-ol ZJTOCCMPRIUOGK-GXTWGEPZSA-N (2R)-2-{[2-Amino-5-({(1S)-1-[3-(methylsulfonyl)phenyl]ethyl}thio)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-amino}-4-methylpentan-1-ol |
Inchi Key | ZJTOCCMPRIUOGK-GXTWGEPZSA-N |
Inchi ID | InChI=1S/C20H27N5O3S3/c1-11(2)8-14(10-26)22-17-16-18(23-19(21)30-16)25-20(24-17)29-12(3)13-6-5-7-15(9-13)31(4,27)28/h5-7,9,11-12,14,26H,8,10H2,1-4H3,(H3,21,22,23,24,25)/t12-,14+/m0/s1 |
PubChem CID | 11964579 |
ChEMBL | CHEMBL2349319 |
IUPHAR | N/A |
BindingDB | 50432468 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
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Ki | <100000.0 nM | PMID23516963 | BindingDB,ChEMBL |
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