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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	1072959-67-1
Molecular formula	C22H24N4O4
IUPAC name	N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Molecular weight	408.458
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.5
Synonyms	FT-0726466 MolPort-039-062-142 SR 3677 AS-16237 HMS3244D09 N-{2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide SR3677 DTXSID50648693 JMC516642 Compound 5 RS0088 ABP000281 BCP01976 HMS3244C09 N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide SR 3677/ CHEMBL521179 HY-13300 NCGC00345833-01 SYN1083 3897AH EX-A1752 KB-80724 SCHEMBL453528 AKOS027422764 BDBM25474 HMS3244C10 N-[2-[2-(DIMETHYLAMINO)ETHOXY]-4-(1H-PYRAZOL-4-YL)PHENYL]-2,3-DIHYDRO-1,4-BENZODIOXIN-2-CARBOXAMIDE SR-3677 CS-1726 J-522791 NCGC00345833-06 959D671 [ Show all ]
Inchi Key	OQWZIAVXCYIZNN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27)
PubChem CID	25093235
ChEMBL	CHEMBL521179
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	-3.0 %	PMID18834107	ChEMBL

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