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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL244284
Molecular formula	C27H33BrClN7O2
IUPAC name	4-bromo-5-[(2-chlorobenzoyl)amino]-1-[2-(dimethylamino)ethyl]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide
Molecular weight	602.962
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.2
Synonyms	4-bromo-5-(2-chlorobenzoylamino)-1-(2-dimethylaminoethyl)-1H-pyrazole-3-carboxylic acid [2-(3,4,5,6-tetrahydro-2H-[1,4'']bipyridinyl-4-yl)ethyl]amide BDBM50222679
Inchi Key	AWYVOTLFOBPIEN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H33BrClN7O2/c1-34(2)17-18-36-25(32-26(37)21-5-3-4-6-22(21)29)23(28)24(33-36)27(38)31-14-7-19-10-15-35(16-11-19)20-8-12-30-13-9-20/h3-6,8-9,12-13,19H,7,10-11,14-18H2,1-2H3,(H,31,38)(H,32,37)
PubChem CID	23630615
ChEMBL	CHEMBL244284
IUPHAR	N/A
BindingDB	50222679
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1600.0 nM	PMID17880055	BindingDB,ChEMBL

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