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Name | B1 bradykinin receptor |
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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 | CHEMBL520304 |
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Molecular formula | C29H30N6O2 |
IUPAC name | [(2R)-1-(1-benzylbenzimidazole-2-carbonyl)pyrrolidin-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone |
Molecular weight | 494.599 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 3.4 |
Synonyms | BDBM50264498 (1-Benzyl-1H-benzoimidazol-2-yl)-[(R)-2-(4-pyridin-4-yl-piperazine-1-carbonyl)-pyrrolidin-1-yl]-methanone |
Inchi Key | BNFHYHIGCYLQMP-AREMUKBSSA-N |
Inchi ID | InChI=1S/C29H30N6O2/c36-28(33-19-17-32(18-20-33)23-12-14-30-15-13-23)26-11-6-16-34(26)29(37)27-31-24-9-4-5-10-25(24)35(27)21-22-7-2-1-3-8-22/h1-5,7-10,12-15,26H,6,11,16-21H2/t26-/m1/s1 |
PubChem CID | 44579891 |
ChEMBL | CHEMBL520304 |
IUPHAR | N/A |
BindingDB | 50264498 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 4074.0 nM | PMID18752949 | BindingDB,ChEMBL |
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