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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	CHEMBL387638
Molecular formula	C24H20ClFN8O
IUPAC name	N-[4-chloro-2-[[(1R)-1-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]amino]pyridin-3-yl]-2-cyanoacetamide
Molecular weight	490.927
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.9
Synonyms	BDBM50157511 N-(4-chloro-2-{(R)-1-[3''-fluoro-2''-(2-methyl-2H-tetrazol-5-yl)-biphenyl-4-yl]-ethylamino}-pyridin-3-yl)-2-cyano-acetamide
Inchi Key	OMBKLIDWTOUDSR-CQSZACIVSA-N
Inchi ID	InChI=1S/C24H20ClFN8O/c1-14(29-24-22(18(25)11-13-28-24)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)23-31-33-34(2)32-23/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1
PubChem CID	11225601
ChEMBL	CHEMBL387638
IUPHAR	N/A
BindingDB	50157511
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	1.17 nM	PMID15588075	BindingDB,ChEMBL
Ki	0.5 nM	PMID15588075	BindingDB,ChEMBL

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