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Name | B1 bradykinin receptor |
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Species | Oryctolagus cuniculus (Rabbit) |
Gene | BDKRB1 |
Synonym | B1R BK-1 receptor |
Disease | N/A for non-human GPCRs |
Length | 352 |
Amino acid sequence | MASQGPLELQPSNQSQLAPPNATSCSGAPDAWDLLHRLLPTFIIAIFTLGLLGNSFVLSVFLLARRRLSVAEIYLANLAASDLVFVLGLPFWAENVRNQFDWPFGAALCRIVNGVIKANLFISIFLVVAISQDRYSVLVHPMASRRGRRRRQAQATCALIWLAGGLLSTPTFVLRSVRAVPELNVSACILLLPHEAWHWLRMVELNLLGFLLPLAAILFFNCHILASLRRRGERVPSRCGGPRDSKSTALILTLVASFLVCWAPYHFFAFLECLWQVHAIGGCFWEEFTDLGLQLSNFSAFVNSCLNPVIYVFVGRLFRTKVWELCQQCSPRSLAPVSSSRRKEMLWGFWRN |
UniProt | P48748 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL4087 |
IUPHAR | N/A |
DrugBank | N/A |
Name | MK-0686 |
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Molecular formula | C22H19ClF4N2O4 |
IUPAC name | methyl 2-chloro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate |
Molecular weight | 486.848 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | 3-Chloro-3'-fluoro-4'-((1R)-1-(((1-((trifluoroacetyl)amino)cyclopropyl)carbonyl)amino)ethyl)-(1,1'-biphenyl)-2-carboxylic acid, methyl ester M310323W0U BDBM50202412 MK0686 (1,1'-Biphenyl)-2-carboxylic acid, 3-chloro-3'-fluoro-4'-((1R)-1-(((1-((trifluoroacetyl)amino)cyclopropyl)carbonyl)amino)ethyl)-, methyl ester [ Show all ] |
Inchi Key | WZZIQHIQMWJNLU-LLVKDONJSA-N |
Inchi ID | InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1 |
PubChem CID | 16102897 |
ChEMBL | CHEMBL232943 |
IUPHAR | N/A |
BindingDB | 50202412 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 7.3 nM | PMID17228869 | BindingDB,ChEMBL |
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