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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	Rattus norvegicus (Rat)
Gene	Bdkrb1
Synonym	KB1 bradykinin receptor BKR1 BK-1 receptor B1R B1BKR B1 receptor Kinin B1 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	337
Amino acid sequence	MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL
UniProt	P97583
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	CHEMBL4613
IUPHAR	41
DrugBank	N/A

Ligand

Name	CHEMBL2018870
Molecular formula	C33H32N4O4S
IUPAC name	N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methoxyphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide
Molecular weight	580.703
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.0
Synonyms	BDBM50381268
Inchi Key	ROVKFWWHHOBTHV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H32N4O4S/c1-41-25-14-16-26(17-15-25)42(39,40)37-30-9-5-4-7-28(30)27-6-2-3-8-29(27)31(37)22-32(38)34-19-18-23-10-12-24(13-11-23)33-35-20-21-36-33/h2-17,31H,18-22H2,1H3,(H,34,38)(H,35,36)
PubChem CID	23627520
ChEMBL	CHEMBL2018870
IUPHAR	N/A
BindingDB	50381268
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	81.0 nM	PMID22483585	BindingDB,ChEMBL

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