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Name | B2 bradykinin receptor |
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Species | Homo sapiens (Human) |
Gene | BDKRB2 |
Synonym | B2R B2BRA BK-2 receptor B2BKR B2 receptor [ Show all ] |
Disease | Unspecified Cancer Hereditary angioedema Inflammatory disease Osteoarthritis [ Show all ] |
Length | 391 |
Amino acid sequence | MFSPWKISMFLSVREDSVPTTASFSADMLNVTLQGPTLNGTFAQSKCPQVEWLGWLNTIQPPFLWVLFVLATLENIFVLSVFCLHKSSCTVAEIYLGNLAAADLILACGLPFWAITISNNFDWLFGETLCRVVNAIISMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCTLLLSSPMLVFRTMKEYSDEGHNVTACVISYPSLIWEVFTNMLLNVVGFLLPLSVITFCTMQIMQVLRNNEMQKFKEIQTERRATVLVLVVLLLFIICWLPFQISTFLDTLHRLGILSSCQDERIIDVITQIASFMAYSNSCLNPLVYVIVGKRFRKKSWEVYQGVCQKGGCRSEPIQMENSMGTLRTSISVERQIHKLQDWAGSRQ |
UniProt | P30411 |
Protein Data Bank | N/A |
GPCR-HGmod model | P30411 |
3D structure model | This predicted structure model is from GPCR-EXP P30411. |
BioLiP | N/A |
Therapeutic Target Database | T23714 |
ChEMBL | CHEMBL3157 |
IUPHAR | 42 |
DrugBank | BE0003513 |
Name | CHEMBL133005 |
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Molecular formula | C36H30Cl2N4O4 |
IUPAC name | 4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-phenylbenzamide |
Molecular weight | 653.56 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 6.9 |
Synonyms | (E)-3-[4-(Phenylcarbamoyl)phenyl]-N-[2-[methyl[2,4-dichloro-3-[(2-methylquinoline-8-yl)oxymethyl]phenyl]amino]-2-oxoethyl]acrylamide BDBM50067275 SCHEMBL7746516 4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-phenyl-benzamide |
Inchi Key | FCQLMFHZIIBJMD-XSFVSMFZSA-N |
Inchi ID | InChI=1S/C36H30Cl2N4O4/c1-23-11-15-25-7-6-10-31(35(25)40-23)46-22-28-29(37)18-19-30(34(28)38)42(2)33(44)21-39-32(43)20-14-24-12-16-26(17-13-24)36(45)41-27-8-4-3-5-9-27/h3-20H,21-22H2,1-2H3,(H,39,43)(H,41,45)/b20-14+ |
PubChem CID | 10556247 |
ChEMBL | CHEMBL133005 |
IUPHAR | N/A |
BindingDB | 50067275 |
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 | 6.3 nM | PMID9767643 | BindingDB |
IC50 | 11.0 nM | PMID9767643 | ChEMBL |
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