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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	CHEMBL2087034
Molecular formula	C22H26Cl2N4O3S
IUPAC name	3-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpropanamide
Molecular weight	497.435
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.6
Synonyms	BDBM50420593 SCHEMBL4031067
Inchi Key	LVSVBFYPWNCMMM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26Cl2N4O3S/c1-15-18(23)8-9-19(21(15)24)32(30,31)28(3)13-10-20(29)27(2)14-16-4-6-17(7-5-16)22-25-11-12-26-22/h4-9H,10-14H2,1-3H3,(H,25,26)
PubChem CID	12085130
ChEMBL	CHEMBL2087034
IUPHAR	N/A
BindingDB	50420593
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	15.0 nM	PMID22369198	BindingDB,ChEMBL
pKb	8.5 -	PMID22369198	ChEMBL

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