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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	B1 bradykinin receptor
Species	Homo sapiens (Human)
Gene	BDKRB1
Synonym	kinin B1 receptor bradykinin receptor BKR1 BK-1 receptor B1R B1BKR B1 receptor [ 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

Ligand

Name	CHEMBL1777968
Molecular formula	C28H36N4O5S
IUPAC name	2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(4R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
Molecular weight	540.679
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.1
Synonyms	BDBM50344110 SCHEMBL5012334 2-((R)-3-oxo-1-tosylpiperazin-2-yl)-N-((R)-7-(piperidin-1-ylmethyl)chroman-4-yl)acetamide
Inchi Key	AYOLCKHKBYKEFR-JWQCQUIFSA-N
Inchi ID	InChI=1S/C28H36N4O5S/c1-20-5-8-22(9-6-20)38(35,36)32-15-12-29-28(34)25(32)18-27(33)30-24-11-16-37-26-17-21(7-10-23(24)26)19-31-13-3-2-4-14-31/h5-10,17,24-25H,2-4,11-16,18-19H2,1H3,(H,29,34)(H,30,33)/t24-,25-/m1/s1
PubChem CID	54583617
ChEMBL	CHEMBL1777968
IUPHAR	N/A
BindingDB	50344110
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.4 nM	PMID21514825	BindingDB,ChEMBL
Ki	0.18 nM	PMID21514825	BindingDB,ChEMBL

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