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GLASS

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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	CHEMBL598868
Molecular formula	C15H12ClF2N7O2
IUPAC name	1-[[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoropyridin-2-yl]methyl]-3-hydroxyurea
Molecular weight	395.755
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	1.7
Synonyms	SCHEMBL13213913 1-((5''-chloro-3,3''-difluoro-2''-(2-methyl-2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-3-hydroxyurea BDBM50309614
Inchi Key	BZNHUFACHKTUTC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H12ClF2N7O2/c1-25-22-14(21-24-25)13-9(3-8(16)4-11(13)18)7-2-10(17)12(19-5-7)6-20-15(26)23-27/h2-5,27H,6H2,1H3,(H2,20,23,26)
PubChem CID	46230892
ChEMBL	CHEMBL598868
IUPHAR	N/A
BindingDB	50309614
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	59.0 nM	PMID20036120	BindingDB,ChEMBL

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