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GLASS

You can:

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	B1 bradykinin receptor
Species	Macaca fascicularis (Crab-eating macaque)
Gene	BDKRB1
Synonym	B1R BK-1 receptor
Disease	N/A for non-human GPCRs
Length	352
Amino acid sequence	MASWPPLQLQSSNQSQLFPQNATACDNAPEAWDLLHRVLPTFIISICSFGLLGNLFVLLVFLLPRRRLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGIIKANLFISIFLVVAISQDRYCVLVHPMASRRRQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHFARIVELNILAFLLPLAAIIFFNYHILASLRGREEVSRTRCGGSKDSKTTALILTLVVAFLVCWAPYHFFAFLEFLFQVQAVRGCFWEDFIDLGLQLANFLAFTNSSLNPVIYVFAGRLFRTKVWELYKQCTPKSLAPISSSHRKEIFQLFWRN
UniProt	Q3BCU0
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	CHEMBL5155
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL484468
Molecular formula	C28H32N6O
IUPAC name	2-[(1-benzylbenzimidazol-2-yl)methyl-ethylamino]-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
Molecular weight	468.605
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.3
Synonyms	BDBM50264559 2-[(1-Benzyl-1H-benzoimidazol-2-ylmethyl)-ethyl-amino]-1-(4-pyridin-4-yl-piperazin-1-yl)-ethanone
Inchi Key	ZAWHVIATEKHWAO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H32N6O/c1-2-31(22-28(35)33-18-16-32(17-19-33)24-12-14-29-15-13-24)21-27-30-25-10-6-7-11-26(25)34(27)20-23-8-4-3-5-9-23/h3-15H,2,16-22H2,1H3
PubChem CID	44579926
ChEMBL	CHEMBL484468
IUPHAR	N/A
BindingDB	50264559
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<5000.0 nM	PMID18752949	BindingDB,ChEMBL

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