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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	B2 bradykinin receptor
Species	Rattus norvegicus (Rat)
Gene	Bdkrb2
Synonym	B2 receptor B2BKR B2BRA BK-2 receptor BK2R bradykinin receptor B2R [ Show all ]
Disease	N/A for non-human GPCRs
Length	396
Amino acid sequence	MDTRSSLCPKTQAVVAVFWGPGCHLSTCIEMFNITTQALGSAHNGTFSEVNCPDTEWWSWLNAIQAPFLWVLFLLAALENIFVLSVFCLHKTNCTVAEIYLGNLAAADLILACGLPFWAITIANNFDWLFGEVLCRVVNTMIYMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWSCTLLLSSPMLVFRTMKDYREEGHNVTACVIVYPSRSWEVFTNMLLNLVGFLLPLSIITFCTVRIMQVLRNNEMKKFKEVQTEKKATVLVLAVLGLFVLCWFPFQISTFLDTLLRLGVLSGCWNERAVDIVTQISSYVAYSNSCLNPLVYVIVGKRFRKKSREVYQAICRKGGCMGESVQMENSMGTLRTSISVDRQIHKLQDWAGNKQ
UniProt	P25023
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	CHEMBL2501
IUPHAR	42
DrugBank	N/A

Ligand

Name	CHEMBL164848
Molecular formula	C21H21N5O4S2
IUPAC name	1-benzyl-3-[4-(benzylsulfamoyl)-2-nitroanilino]thiourea
Molecular weight	471.55
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	4.2
Synonyms	1N-benzyl-4-benzylamino(thioxo)methylhydrazine-3-nitro-1-benzenesulfonamide BDBM50085689 4-Benzyl-1-[4-[(benzylamino)sulfonyl]-2-nitrophenyl]thiosemicarbazide
Inchi Key	GHGRXPKZAXAJFP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21N5O4S2/c27-26(28)20-13-18(32(29,30)23-15-17-9-5-2-6-10-17)11-12-19(20)24-25-21(31)22-14-16-7-3-1-4-8-16/h1-13,23-24H,14-15H2,(H2,22,25,31)
PubChem CID	10504589
ChEMBL	CHEMBL164848
IUPHAR	N/A
BindingDB	50085689
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	310.0 nM	PMID10715143	BindingDB,ChEMBL

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