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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	CHEMBL221998
Molecular formula	C24H20Cl2N4O3
IUPAC name	methyl 2-chloro-6-[4-[(1R)-1-[[4-chloro-3-[(2-cyanoacetyl)amino]pyridin-2-yl]amino]ethyl]phenyl]benzoate
Molecular weight	483.349
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.4
Synonyms	BDBM50157513 3-chloro-4''-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridin-2-ylamino]-ethyl}-biphenyl-2-carboxylic acid methyl ester
Inchi Key	ALKZGOAMUXQFJR-CQSZACIVSA-N
Inchi ID	InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(19(26)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-18(25)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
PubChem CID	11386138
ChEMBL	CHEMBL221998
IUPHAR	N/A
BindingDB	50157513
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.85 nM	PMID15588075	BindingDB,ChEMBL
Ki	0.7 nM	PMID15588075	BindingDB,ChEMBL

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