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Name | B2 bradykinin receptor |
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Species | Cavia porcellus (Guinea pig) |
Gene | BDKRB2 |
Synonym | B2R BK-2 receptor |
Disease | N/A for non-human GPCRs |
Length | 372 |
Amino acid sequence | MFNITSQVSALNATLAQGNSCLDAEWWSWLNTIQAPFLWVLFVLAVLENIFVLSVFFLHKSSCTVAEIYLGNLAVADLILAFGLPFWAITIANNFDWLFGEVLCRMVNTMIQMNMYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCALLLSSPMLVFRTMKDYRDEGHNVTACLIIYPSLTWQVFTNVLLNLVGFLLPLSIITFCTVQIMQVLRNNEMQKFKEIQTERRATVLVLAVLLLFVVCWLPFQIGTFLDTLRLLGFLPGCWEHVIDLITQISSYLAYSNSCLNPLVYVIVGKRFRKKSREVYHGLCRSGGCVSEPAQSENSMGTLRTSISVDRQIHKLQDWARSSSEGTPPGLL |
UniProt | O70526 |
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 | CHEMBL4111 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL544623 |
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Molecular formula | C51H41N7O2 |
IUPAC name | (E)-N-[[1-[3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis[(E)-2-pyridin-4-ylethenyl]phenyl]pyrrol-2-yl]methyl]-3-[6-[(E)-2-pyridin-4-ylethenyl]pyridin-3-yl]prop-2-enamide |
Molecular weight | 783.936 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 8.3 |
Synonyms | CHEMBL1193250 BDBM50067928 N-{1-[3-(2-Methyl-quinolin-8-yloxymethyl)-2,4-bis-(2-pyridin-4-yl-vinyl)-phenyl]-1H-pyrrol-2-ylmethyl}-3-[6-(2-pyridin-4-yl-vinyl)-pyridin-3-yl]-acrylamide |
Inchi Key | GILVQLPJVQETDU-JZMRWLDYSA-N |
Inchi ID | InChI=1S/C51H41N7O2/c1-37-7-13-43-4-2-6-49(51(43)57-37)60-36-47-42(14-8-38-21-27-52-28-22-38)15-19-48(46(47)18-11-40-25-31-54-32-26-40)58-33-3-5-45(58)35-56-50(59)20-12-41-10-17-44(55-34-41)16-9-39-23-29-53-30-24-39/h2-34H,35-36H2,1H3,(H,56,59)/b14-8+,16-9+,18-11+,20-12+ |
PubChem CID | 44360818 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50067928 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 2.6 nM | PMID9804698 | BindingDB |
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