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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	CHEMBL1939770
Molecular formula	C22H22N4O5S
IUPAC name	2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide
Molecular weight	454.501
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	0.3
Synonyms	BDBM50362351
Inchi Key	AZKIYTNOVXKABQ-RTBURBONSA-N
Inchi ID	InChI=1S/C22H22N4O5S/c1-14-6-8-15(9-7-14)32(30,31)26-11-10-23-22(29)19(26)13-21(28)25-18-12-20(27)24-17-5-3-2-4-16(17)18/h2-11,18-19H,12-13H2,1H3,(H,23,29)(H,24,27)(H,25,28)/t18-,19-/m1/s1
PubChem CID	57400937
ChEMBL	CHEMBL1939770
IUPHAR	N/A
BindingDB	50362351
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	96.0 nM	PMID22197141	BindingDB,ChEMBL

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