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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	CHEMBL208386
Molecular formula	C28H39N3O3S
IUPAC name	2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[(1R)-6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
Molecular weight	497.698
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.9
Synonyms	BDBM50182243 N-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(phenylsulfonyl)piperidin-2-yl)acetamide SCHEMBL14518529
Inchi Key	CCIFTGGLGDFHPB-JYFHCDHNSA-N
Inchi ID	InChI=1S/C28H39N3O3S/c1-28(2,3)29-20-21-15-16-25-22(18-21)10-9-14-26(25)30-27(32)19-23-11-7-8-17-31(23)35(33,34)24-12-5-4-6-13-24/h4-6,12-13,15-16,18,23,26,29H,7-11,14,17,19-20H2,1-3H3,(H,30,32)/t23-,26+/m0/s1
PubChem CID	44410143
ChEMBL	CHEMBL208386
IUPHAR	N/A
BindingDB	50182243
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	1700.0 nM	PMID16464576	BindingDB,ChEMBL
IC50	2400.0 nM	PMID16464576	BindingDB,ChEMBL

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