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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	CHEMBL2112221
Molecular formula	C34H40N8O5S2
IUPAC name	N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-[3-nitro-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamothioyl)hydrazinyl]phenyl]sulfonylpyrrole-2-carboxamide
Molecular weight	704.865
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	5.4
Synonyms	BDBM50409529
Inchi Key	QGTPDQUKWCFOHH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H40N8O5S2/c1-39(2)21-22-40(3)20-18-35-33(43)30-13-8-19-41(30)49(46,47)26-16-17-29(31(23-26)42(44)45)37-38-34(48)36-32-27-11-6-4-9-24(27)14-15-25-10-5-7-12-28(25)32/h4-13,16-17,19,23,32,37H,14-15,18,20-22H2,1-3H3,(H,35,43)(H2,36,38,48)
PubChem CID	11136263
ChEMBL	CHEMBL2112221
IUPHAR	N/A
BindingDB	N/A
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	64.5 nM	PMID12014954	ChEMBL

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