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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 | CHEMBL508632 |
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Molecular formula | C26H33ClN2O5S |
IUPAC name | (2R,3S)-4-(3-chlorophenyl)sulfonyl-2,3-dihydroxy-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide |
Molecular weight | 521.069 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 3.4 |
Synonyms | BDBM50244619 SCHEMBL5950752 (2R,3S)-4-(3-chlorophenylsulfonyl)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide |
Inchi Key | PSBZFHDZIVDNLF-UBFVSLLYSA-N |
Inchi ID | InChI=1S/C26H33ClN2O5S/c27-20-7-5-8-21(15-20)35(33,34)17-24(30)25(31)26(32)28-23-9-4-6-19-14-18(10-11-22(19)23)16-29-12-2-1-3-13-29/h5,7-8,10-11,14-15,23-25,30-31H,1-4,6,9,12-13,16-17H2,(H,28,32)/t23-,24-,25-/m1/s1 |
PubChem CID | 11555433 |
ChEMBL | CHEMBL508632 |
IUPHAR | N/A |
BindingDB | 50244619 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 39.2 nM | PMID18706809 | BindingDB,ChEMBL |
Ki | 54.4 nM | PMID18706809 | BindingDB,ChEMBL |
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