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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	CHEMBL196494
Molecular formula	C24H23F3N4O2
IUPAC name	N-methyl-2-[4-[[[4-methyl-3-(3,3,3-trifluoropropanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzamide
Molecular weight	456.469
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	4.2
Synonyms	BDBM50165829 4''-{[4-Methyl-3-(3,3,3-trifluoro-propionylamino)-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid methylamide
Inchi Key	CBZLVCMFXUKNPK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23F3N4O2/c1-15-11-12-29-22(21(15)31-20(32)13-24(25,26)27)30-14-16-7-9-17(10-8-16)18-5-3-4-6-19(18)23(33)28-2/h3-12H,13-14H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)
PubChem CID	44402076
ChEMBL	CHEMBL196494
IUPHAR	N/A
BindingDB	50165829
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	11.0 nM	PMID15837330	BindingDB,ChEMBL

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