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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	CHEMBL412762
Molecular formula	C33H35N3O5S
IUPAC name	(3R)-N-[(4R)-7-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
Molecular weight	585.719
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.0
Synonyms	BDBM50209743 (R)-N-((R)-7-(morpholinomethyl)chroman-4-yl)-3-(naphthalene-3-sulfonamido)-3-phenylpropanamide
Inchi Key	AZKBBIWPORIMHR-FIRIVFDPSA-N
Inchi ID	InChI=1S/C33H35N3O5S/c37-33(34-30-14-17-41-32-20-24(10-13-29(30)32)23-36-15-18-40-19-16-36)22-31(26-7-2-1-3-8-26)35-42(38,39)28-12-11-25-6-4-5-9-27(25)21-28/h1-13,20-21,30-31,35H,14-19,22-23H2,(H,34,37)/t30-,31-/m1/s1
PubChem CID	16220918
ChEMBL	CHEMBL412762
IUPHAR	N/A
BindingDB	50209743
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	10.9 nM	PMID17408249	BindingDB,ChEMBL
Ki	3.7 nM	PMID17408249	BindingDB,ChEMBL

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