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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 | CHEMBL491041 |
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Molecular formula | C28H25N5O2S |
IUPAC name | 1-benzyl-N-[2-[methyl-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide |
Molecular weight | 495.601 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | BDBM50264677 N-(2-((4-(thiazol-2-yl)benzyl)(methyl)amino)-2-oxoethyl)-1-benzyl-1H-benzo[d]imidazole-2-carboxamide |
Inchi Key | KMYYXNZFDDEWMA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H25N5O2S/c1-32(18-21-11-13-22(14-12-21)28-29-15-16-36-28)25(34)17-30-27(35)26-31-23-9-5-6-10-24(23)33(26)19-20-7-3-2-4-8-20/h2-16H,17-19H2,1H3,(H,30,35) |
PubChem CID | 44580012 |
ChEMBL | CHEMBL491041 |
IUPHAR | N/A |
BindingDB | 50264677 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 1167.0 nM | PMID18752949 | BindingDB,ChEMBL |
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