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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 | CHEMBL455643 |
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Molecular formula | C27H33F3N2O5S |
IUPAC name | (2R,3S)-2,3-dihydroxy-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[4-(trifluoromethyl)phenyl]sulfonylbutanamide |
Molecular weight | 554.625 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 3.6 |
Synonyms | BDBM50244618 SCHEMBL5950891 (2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-4-(4-(trifluoromethyl)phenylsulfonyl)butanamide |
Inchi Key | ZRLUSHCQXOZUBC-UBFVSLLYSA-N |
Inchi ID | InChI=1S/C27H33F3N2O5S/c28-27(29,30)20-8-10-21(11-9-20)38(36,37)17-24(33)25(34)26(35)31-23-6-4-5-19-15-18(7-12-22(19)23)16-32-13-2-1-3-14-32/h7-12,15,23-25,33-34H,1-6,13-14,16-17H2,(H,31,35)/t23-,24-,25-/m1/s1 |
PubChem CID | 11635364 |
ChEMBL | CHEMBL455643 |
IUPHAR | N/A |
BindingDB | 50244618 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 210.0 nM | PMID18706809 | BindingDB,ChEMBL |
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