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Name | B1 bradykinin receptor |
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Species | Homo sapiens (Human) |
Gene | BDKRB1 |
Synonym | kinin B1 receptor bradykinin receptor BKR1 BK-1 receptor B1R [ Show all ] |
Disease | Diabetic macular edema Rheumatoid arthritis Pain Osteoarthritis |
Length | 353 |
Amino acid sequence | MASSWPPLELQSSNQSQLFPQNATACDNAPEAWDLLHRVLPTFIISICFFGLLGNLFVLLVFLLPRRQLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGVIKANLFISIFLVVAISQDRYRVLVHPMASRRQQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHFARIVELNILGFLLPLAAIVFFNYHILASLRTREEVSRTRCGGRKDSKTTALILTLVVAFLVCWAPYHFFAFLEFLFQVQAVRGCFWEDFIDLGLQLANFFAFTNSSLNPVIYVFVGRLFRTKVWELYKQCTPKSLAPISSSHRKEIFQLFWRN |
UniProt | P46663 |
Protein Data Bank | N/A |
GPCR-HGmod model | P46663 |
3D structure model | This predicted structure model is from GPCR-EXP P46663. |
BioLiP | N/A |
Therapeutic Target Database | T58589 |
ChEMBL | CHEMBL4308 |
IUPHAR | 41 |
DrugBank | BE0005831 |
Name | CHEMBL2087416 |
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Molecular formula | C22H26F2N4O4S |
IUPAC name | 2-[2-[(2,6-difluorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide |
Molecular weight | 480.531 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 1.1 |
Synonyms | BDBM50420602 SCHEMBL4035050 |
Inchi Key | XKGXBHHGZZKDSZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H26F2N4O4S/c1-27(14-16-6-8-17(9-7-16)22-25-10-11-26-22)20(29)15-32-13-12-28(2)33(30,31)21-18(23)4-3-5-19(21)24/h3-9H,10-15H2,1-2H3,(H,25,26) |
PubChem CID | 57343016 |
ChEMBL | CHEMBL2087416 |
IUPHAR | N/A |
BindingDB | 50420602 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 142.0 nM | PMID22369198 | BindingDB,ChEMBL |
pKb | 7.6 - | PMID22369198 | ChEMBL |
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