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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	CHEMBL1934258
Molecular formula	C32H31ClN2O3
IUPAC name	3-(8-chloro-4-oxochromen-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
Molecular weight	527.061
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	6.0
Synonyms	BDBM50360423
Inchi Key	JRHYUDHUBOPSER-GDLZYMKVSA-N
Inchi ID	InChI=1S/C32H31ClN2O3/c33-28-11-6-10-26-30(36)27(20-38-31(26)28)23-7-4-9-24(18-23)32(37)34-29-12-5-8-22-17-21(13-14-25(22)29)19-35-15-2-1-3-16-35/h4,6-7,9-11,13-14,17-18,20,29H,1-3,5,8,12,15-16,19H2,(H,34,37)/t29-/m1/s1
PubChem CID	57403175
ChEMBL	CHEMBL1934258
IUPHAR	N/A
BindingDB	50360423
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
IC50	188.0 nM	PMID22088753	BindingDB,ChEMBL
Ki	322.0 nM	PMID22088753	BindingDB,ChEMBL

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