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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.
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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	CHEMBL453338
Molecular formula	C31H38N2O4S
IUPAC name	(2R)-2-methoxy-4-naphthalen-2-ylsulfonyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
Molecular weight	534.715
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.0
Synonyms	SCHEMBL5950723 (R)-2-methoxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6-(piperidin-1-yl-methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide ANZZTPCLLZBEDB-LOYHVIPDSA-N (R)-2-methoxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide BDBM50244565
Inchi Key	ANZZTPCLLZBEDB-LOYHVIPDSA-N
Inchi ID	InChI=1S/C31H38N2O4S/c1-37-30(16-19-38(35,36)27-14-13-24-8-3-4-9-25(24)21-27)31(34)32-29-11-7-10-26-20-23(12-15-28(26)29)22-33-17-5-2-6-18-33/h3-4,8-9,12-15,20-21,29-30H,2,5-7,10-11,16-19,22H2,1H3,(H,32,34)/t29-,30-/m1/s1
PubChem CID	11555599
ChEMBL	CHEMBL453338
IUPHAR	N/A
BindingDB	50244565
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	79.0 nM	PMID18706809	BindingDB,ChEMBL
Ki	169.0 nM	PMID18706809	BindingDB,ChEMBL

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