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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 | CHEMBL486456 |
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Molecular formula | C30H42N2O5S |
IUPAC name | (2R,3S)-4-(4-tert-butylphenyl)sulfonyl-2,3-dihydroxy-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide |
Molecular weight | 542.735 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 4.4 |
Synonyms | BDBM50244437 SCHEMBL5950361 (2R,3S)-4-(4-tert-butylphenylsulfonyl)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide |
Inchi Key | YWXDLWUBXXXTCS-JCYYIGJDSA-N |
Inchi ID | InChI=1S/C30H42N2O5S/c1-30(2,3)23-11-13-24(14-12-23)38(36,37)20-27(33)28(34)29(35)31-26-9-7-8-22-18-21(10-15-25(22)26)19-32-16-5-4-6-17-32/h10-15,18,26-28,33-34H,4-9,16-17,19-20H2,1-3H3,(H,31,35)/t26-,27-,28-/m1/s1 |
PubChem CID | 44561643 |
ChEMBL | CHEMBL486456 |
IUPHAR | N/A |
BindingDB | 50244437 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 4.5 nM | PMID18706809 | BindingDB,ChEMBL |
Ki | 15.8 nM | PMID18706809 | BindingDB,ChEMBL |
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