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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL350109
Molecular formula	C22H22N4O4S2
IUPAC name	N-benzyl-2-[4-(benzylsulfamoyl)-2-nitroanilino]ethanethioamide
Molecular weight	470.562
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	4.2
Synonyms	N-Benzyl-2-(4-benzylsulfamoyl-2-nitro-phenylamino)-thioacetamide BDBM50085691
Inchi Key	NFEYYZXNIXMHGZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22N4O4S2/c27-26(28)21-13-19(32(29,30)25-15-18-9-5-2-6-10-18)11-12-20(21)23-16-22(31)24-14-17-7-3-1-4-8-17/h1-13,23,25H,14-16H2,(H,24,31)
PubChem CID	10814224
ChEMBL	CHEMBL350109
IUPHAR	N/A
BindingDB	50085691
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	<100000.0 nM	PMID10715143	BindingDB,ChEMBL

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