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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.
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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	CHEMBL488983
Molecular formula	C27H28N6O2
IUPAC name	1-benzyl-N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]benzimidazole-2-carboxamide
Molecular weight	468.561
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.6
Synonyms	BDBM50264401 SCHEMBL14262514 1-benzyl-N-(3-oxo-3-(4-(pyridin-4-yl)piperazin-1-yl)propyl)-1H-benzo[d]imidazole-2-carboxamide
Inchi Key	MHYUUICKMXQDMA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H28N6O2/c34-25(32-18-16-31(17-19-32)22-10-13-28-14-11-22)12-15-29-27(35)26-30-23-8-4-5-9-24(23)33(26)20-21-6-2-1-3-7-21/h1-11,13-14H,12,15-20H2,(H,29,35)
PubChem CID	24946437
ChEMBL	CHEMBL488983
IUPHAR	N/A
BindingDB	50264401
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	962.0 nM	PMID18752949	BindingDB,ChEMBL

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