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Name | B1 bradykinin receptor |
---|---|
Species | Macaca fascicularis (Crab-eating macaque) |
Gene | BDKRB1 |
Synonym | B1R BK-1 receptor |
Disease | N/A for non-human GPCRs |
Length | 352 |
Amino acid sequence | MASWPPLQLQSSNQSQLFPQNATACDNAPEAWDLLHRVLPTFIISICSFGLLGNLFVLLVFLLPRRRLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGIIKANLFISIFLVVAISQDRYCVLVHPMASRRRQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHFARIVELNILAFLLPLAAIIFFNYHILASLRGREEVSRTRCGGSKDSKTTALILTLVVAFLVCWAPYHFFAFLEFLFQVQAVRGCFWEDFIDLGLQLANFLAFTNSSLNPVIYVFAGRLFRTKVWELYKQCTPKSLAPISSSHRKEIFQLFWRN |
UniProt | Q3BCU0 |
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 | CHEMBL5155 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL485079 |
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Molecular formula | C27H32N4O3 |
IUPAC name | 1-benzyl-N-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzimidazole-2-carboxamide |
Molecular weight | 460.578 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | BDBM50264712 SCHEMBL14262491 1-Benzyl-1H-benzoimidazole-2-carboxylic acid [3-(3-oxa-9-aza-spiro[5.5]undec-9-yl)-3-oxo-propyl]-amide |
Inchi Key | JVPWICRYXXIDKL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H32N4O3/c32-24(30-16-11-27(12-17-30)13-18-34-19-14-27)10-15-28-26(33)25-29-22-8-4-5-9-23(22)31(25)20-21-6-2-1-3-7-21/h1-9H,10-20H2,(H,28,33) |
PubChem CID | 44580043 |
ChEMBL | CHEMBL485079 |
IUPHAR | N/A |
BindingDB | 50264712 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 1990.0 nM | PMID18752949 | BindingDB,ChEMBL |
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