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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	CHEMBL603907
Molecular formula	C20H20ClF2N7O2
IUPAC name	3-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoropyridin-2-yl]methyl]-1-cyclopentyl-1-hydroxyurea
Molecular weight	463.874
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.1
Synonyms	BDBM50309619 3-((5''-chloro-3,3''-difluoro-2''-(2-methyl-2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1-cyclopentyl-1-hydroxyurea
Inchi Key	AAMVCIFGAZHOPV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20ClF2N7O2/c1-29-27-19(26-28-29)18-14(7-12(21)8-16(18)23)11-6-15(22)17(24-9-11)10-25-20(31)30(32)13-4-2-3-5-13/h6-9,13,32H,2-5,10H2,1H3,(H,25,31)
PubChem CID	46230941
ChEMBL	CHEMBL603907
IUPHAR	N/A
BindingDB	50309619
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	0.8 nM	PMID20036120	BindingDB,ChEMBL

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