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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	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	CHEMBL489191
Molecular formula	C29H30N6O2
IUPAC name	1-benzyl-N-[2-[methyl-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide
Molecular weight	494.599
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.8
Synonyms	N-(2-((4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)benzyl)(methyl)amino)-2-oxoethyl)-1-benzyl-1H-benzo[d]imidazole-2-carboxamide BDBM50264589
Inchi Key	YZSMKDMHMIIGAT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H30N6O2/c1-33-17-16-30-27(33)23-14-12-22(13-15-23)19-34(2)26(36)18-31-29(37)28-32-24-10-6-7-11-25(24)35(28)20-21-8-4-3-5-9-21/h3-15H,16-20H2,1-2H3,(H,31,37)
PubChem CID	44579943
ChEMBL	CHEMBL489191
IUPHAR	N/A
BindingDB	50264589
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	14.0 nM	PMID18752949	BindingDB,ChEMBL

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