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Name | B1 bradykinin receptor |
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Species | Homo sapiens (Human) |
Gene | BDKRB1 |
Synonym | kinin B1 receptor bradykinin receptor BKR1 BK-1 receptor B1R [ Show all ] |
Disease | Diabetic macular edema Rheumatoid arthritis Pain Osteoarthritis |
Length | 353 |
Amino acid sequence | MASSWPPLELQSSNQSQLFPQNATACDNAPEAWDLLHRVLPTFIISICFFGLLGNLFVLLVFLLPRRQLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGVIKANLFISIFLVVAISQDRYRVLVHPMASRRQQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHFARIVELNILGFLLPLAAIVFFNYHILASLRTREEVSRTRCGGRKDSKTTALILTLVVAFLVCWAPYHFFAFLEFLFQVQAVRGCFWEDFIDLGLQLANFFAFTNSSLNPVIYVFVGRLFRTKVWELYKQCTPKSLAPISSSHRKEIFQLFWRN |
UniProt | P46663 |
Protein Data Bank | N/A |
GPCR-HGmod model | P46663 |
3D structure model | This predicted structure model is from GPCR-EXP P46663. |
BioLiP | N/A |
Therapeutic Target Database | T58589 |
ChEMBL | CHEMBL4308 |
IUPHAR | 41 |
DrugBank | BE0005831 |
Name | CHEMBL1934264 |
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Molecular formula | C32H31FN2O3 |
IUPAC name | 4-(5-fluoro-4-oxochromen-3-yl)-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide |
Molecular weight | 510.609 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 5.5 |
Synonyms | BDBM50360418 |
Inchi Key | ZGESOBLLPIMSKB-NDEPHWFRSA-N |
Inchi ID | InChI=1S/C32H31FN2O3/c33-27-7-5-9-29-30(27)31(36)26(20-38-29)22-11-13-23(14-12-22)32(37)34-28-8-4-6-24-18-21(10-15-25(24)28)19-35-16-2-1-3-17-35/h5,7,9-15,18,20,28H,1-4,6,8,16-17,19H2,(H,34,37)/t28-/m0/s1 |
PubChem CID | 56835163 |
ChEMBL | CHEMBL1934264 |
IUPHAR | N/A |
BindingDB | 50360418 |
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 | 12.0 nM | PMID22088753 | BindingDB,ChEMBL |
Ki | 17.0 nM | PMID22088753 | BindingDB,ChEMBL |
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