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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	CHEMBL604999
Molecular formula	C24H18ClF2N7O4
IUPAC name	N-[5-[[4-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]methylamino]-1H-pyrazol-4-yl]-3-methoxy-1,2-oxazole-5-carboxamide
Molecular weight	541.9
Hydrogen bond acceptor	11
Hydrogen bond donor	3
XlogP	4.7
Synonyms	N-(3-((5''-chloro-3,3''-difluoro-2''-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)methylamino)-1H-pyrazol-4-yl)-3-methoxyisoxazole-5-carboxamide BDBM50309024
Inchi Key	CKDCETIXLNSACD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H18ClF2N7O4/c1-11-30-23(34-37-11)21-15(6-14(25)7-17(21)27)12-3-4-13(16(26)5-12)9-28-22-18(10-29-32-22)31-24(35)19-8-20(36-2)33-38-19/h3-8,10H,9H2,1-2H3,(H,31,35)(H2,28,29,32)
PubChem CID	46230354
ChEMBL	CHEMBL604999
IUPHAR	N/A
BindingDB	50309024
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3.5 nM	PMID20015651	BindingDB,ChEMBL

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