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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	CHEMBL386794
Molecular formula	C36H48Cl2N5O5S+
IUPAC name	[5-[4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-5-oxopentyl]-trimethylazanium
Molecular weight	733.77
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.2
Synonyms	BDBM50411253
Inchi Key	AVCCDSXROVKBCO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H48Cl2N5O5S/c1-25-23-26(2)39-34-27(25)11-10-12-30(34)48-24-28-29(37)14-15-31(33(28)38)49(46,47)40-36(16-7-8-17-36)35(45)42-20-18-41(19-21-42)32(44)13-6-9-22-43(3,4)5/h10-12,14-15,23,40H,6-9,13,16-22,24H2,1-5H3/q+1
PubChem CID	16105694
ChEMBL	CHEMBL386794
IUPHAR	N/A
BindingDB	50411253
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	>10000.0 nM	PMID17266207	ChEMBL

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