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Name | B2 bradykinin receptor |
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Species | Homo sapiens (Human) |
Gene | BDKRB2 |
Synonym | B2R B2BRA BK-2 receptor B2BKR B2 receptor [ Show all ] |
Disease | Unspecified Cancer Hereditary angioedema Inflammatory disease Osteoarthritis [ Show all ] |
Length | 391 |
Amino acid sequence | MFSPWKISMFLSVREDSVPTTASFSADMLNVTLQGPTLNGTFAQSKCPQVEWLGWLNTIQPPFLWVLFVLATLENIFVLSVFCLHKSSCTVAEIYLGNLAAADLILACGLPFWAITISNNFDWLFGETLCRVVNAIISMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCTLLLSSPMLVFRTMKEYSDEGHNVTACVISYPSLIWEVFTNMLLNVVGFLLPLSVITFCTMQIMQVLRNNEMQKFKEIQTERRATVLVLVVLLLFIICWLPFQISTFLDTLHRLGILSSCQDERIIDVITQIASFMAYSNSCLNPLVYVIVGKRFRKKSWEVYQGVCQKGGCRSEPIQMENSMGTLRTSISVERQIHKLQDWAGSRQ |
UniProt | P30411 |
Protein Data Bank | N/A |
GPCR-HGmod model | P30411 |
3D structure model | This predicted structure model is from GPCR-EXP P30411. |
BioLiP | N/A |
Therapeutic Target Database | T23714 |
ChEMBL | CHEMBL3157 |
IUPHAR | 42 |
DrugBank | BE0003513 |
Name | CHEMBL552296 |
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Molecular formula | C22H22ClN5O3S |
IUPAC name | N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]pyridin-3-yl]methyl]methanesulfonamide |
Molecular weight | 471.96 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 2.5 |
Synonyms | N-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-3-ylmethyl}-methanesulfonamide SCHEMBL13145499 BDBM50293896 |
Inchi Key | AMXRUHFKPMZRML-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H22ClN5O3S/c1-14-9-17(20-7-8-25-28(20)2)16-5-4-6-21(22(16)27-14)31-13-18-15(10-24-12-19(18)23)11-26-32(3,29)30/h4-10,12,26H,11,13H2,1-3H3 |
PubChem CID | 44190941 |
ChEMBL | CHEMBL552296 |
IUPHAR | N/A |
BindingDB | 50293896 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 14.0 nM | PMID19552431 | BindingDB,ChEMBL |
IC50 | 110.0 nM | PMID19552431 | BindingDB,ChEMBL |
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