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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	Canis lupus familiaris (Dog)
Gene	BDKRB1
Synonym	B1R BK-1 receptor
Disease	N/A for non-human GPCRs
Length	350
Amino acid sequence	MASRAPLELLPLNRSQLSPPNATTCDDAPEAWDLLHRVLPSVIIIICVCGLLGNLLVLAVLLRPRRRLNVAEMYLANLAASDLVFVLGLPFWAANISNQFRWPFGGLLCRLVNGVIKANLFISIFLVVAISRDRYRALVHPMATRRRRQARATCVLIWVAGSLLSVPTFLFRSIEAVPELNNDSACVLLHPPGAWHVARMVELNVLGFLLPLAAIVFFNCHILASLRGRPEVRGARCGGPPDGRTTALILTFVAAFLVCWTPYHFFAFLEFLTQVQVVRGCFWENFKDLGLQYASFFAFINSCLNPVIYVFVGRLFRTRVWDLFKQCAPRRPPAVSWSHRKRVLQLFWQN
UniProt	Q9BDQ5
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4724
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL402831
Molecular formula	C20H16ClF5N4O3
IUPAC name	(2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoropyridin-2-yl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
Molecular weight	490.815
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	3.8
Synonyms	ZINC29128429 Propanamide,N-[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-Methyl-,(2R)- 858412-39-2 (R)-N-((R)-1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)-3-fluoropyridin-2-yl)ethyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide SCHEMBL3111713 BDBM50229295 KB-80098 [ Show all ]
Inchi Key	RVBQIDXHOLKEKQ-LILOVNGRSA-N
Inchi ID	InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)33-30-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1
PubChem CID	16726096
ChEMBL	CHEMBL402831
IUPHAR	N/A
BindingDB	50229295
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

Experimental Data

Parameter	Value	Reference	Database source
Ki	205.0 nM	PMID18061443	BindingDB,ChEMBL

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