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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	CHEMBL381372
Molecular formula	C28H36F3N3O4S
IUPAC name	N-[(1R)-6-[(2-methoxyethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]acetamide
Molecular weight	567.668
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.6
Synonyms	SCHEMBL5391079 BDBM50182220 N-((R)-6-((2-methoxyethylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
Inchi Key	AUQFXZSCVAWPIC-JYFHCDHNSA-N
Inchi ID	InChI=1S/C28H36F3N3O4S/c1-38-15-13-32-19-20-11-12-25-21(16-20)6-4-10-26(25)33-27(35)18-23-8-2-3-14-34(23)39(36,37)24-9-5-7-22(17-24)28(29,30)31/h5,7,9,11-12,16-17,23,26,32H,2-4,6,8,10,13-15,18-19H2,1H3,(H,33,35)/t23-,26+/m0/s1
PubChem CID	11478613
ChEMBL	CHEMBL381372
IUPHAR	N/A
BindingDB	50182220
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	21.0 nM	PMID16464576	BindingDB,ChEMBL
IC50	46.0 nM	PMID16464576	BindingDB,ChEMBL

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