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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	CHEMBL164754
Molecular formula	C30H41N7O4S2
IUPAC name	1-benzhydryl-3-[4-[bis[3-(dimethylamino)propyl]sulfamoyl]-2-nitroanilino]thiourea
Molecular weight	627.823
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	5.4
Synonyms	1N,1N-di(3-dimethylaminopropyl)-4-benzhydrylamino(thioxo)methylhydrazine-3-nitro-1-benzenesulfonamide BDBM50085696 4-(Diphenylmethyl)-1-[4-[[bis[3-(dimethylamino)propyl]amino]sulfonyl]-2-nitrophenyl]thiosemicarbazide
Inchi Key	YYDFGSYKLRWOQV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H41N7O4S2/c1-34(2)19-11-21-36(22-12-20-35(3)4)43(40,41)26-17-18-27(28(23-26)37(38)39)32-33-30(42)31-29(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-18,23,29,32H,11-12,19-22H2,1-4H3,(H2,31,33,42)
PubChem CID	10770256
ChEMBL	CHEMBL164754
IUPHAR	N/A
BindingDB	50085696
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	148.0 nM	PMID10715143	BindingDB,ChEMBL

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