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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	CHEMBL218636
Molecular formula	C38H52Cl2N7O6S+
IUPAC name	[(4S)-5-[4-[1-acetyl-4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]piperidine-4-carbonyl]piperazin-1-yl]-4-amino-5-oxopentyl]-trimethylazanium
Molecular weight	805.837
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.2
Synonyms	BDBM50411254
Inchi Key	CVEVWPJOKBLXPW-HKBQPEDESA-N
Inchi ID	InChI=1S/C38H52Cl2N7O6S/c1-25-23-26(2)42-35-28(25)9-7-11-32(35)53-24-29-30(39)12-13-33(34(29)40)54(51,52)43-38(14-16-44(17-15-38)27(3)48)37(50)46-20-18-45(19-21-46)36(49)31(41)10-8-22-47(4,5)6/h7,9,11-13,23,31,43H,8,10,14-22,24,41H2,1-6H3/q+1/t31-/m0/s1
PubChem CID	16105751
ChEMBL	CHEMBL218636
IUPHAR	N/A
BindingDB	50411254
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	>10000.0 nM	PMID17266207	ChEMBL

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