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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	CHEMBL489577
Molecular formula	C25H31N5O
IUPAC name	(1-benzylbenzimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
Molecular weight	417.557
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.2
Synonyms	BDBM50264267 (1-benzyl-1H-benzo[d]imidazol-2-yl)(4-(1-methylpiperidin-4-yl)piperazin-1-yl)methanone
Inchi Key	VILOXEIUKQLLOD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H31N5O/c1-27-13-11-21(12-14-27)28-15-17-29(18-16-28)25(31)24-26-22-9-5-6-10-23(22)30(24)19-20-7-3-2-4-8-20/h2-10,21H,11-19H2,1H3
PubChem CID	44579765
ChEMBL	CHEMBL489577
IUPHAR	N/A
BindingDB	50264267
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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