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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	CHEMBL2087436
Molecular formula	C23H27Cl2N5O4S
IUPAC name	2-[[2-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]acetyl]amino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
Molecular weight	540.46
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.0
Synonyms	BDBM50420567 SCHEMBL6760002
Inchi Key	PLHOBTDKXXTKQI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27Cl2N5O4S/c1-15-18(24)8-9-19(22(15)25)35(33,34)30(3)14-20(31)28-12-21(32)29(2)13-16-4-6-17(7-5-16)23-26-10-11-27-23/h4-9H,10-14H2,1-3H3,(H,26,27)(H,28,31)
PubChem CID	10187167
ChEMBL	CHEMBL2087436
IUPHAR	N/A
BindingDB	50420567
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	78.0 nM	PMID22369198	BindingDB,ChEMBL
pKb	7.2 -	PMID22369198	ChEMBL

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