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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	Mus musculus (Mouse)
Gene	Bdkrb1
Synonym	bradykinin receptor BKR1 BK-1 receptor B1R B1BKR B1 receptor kinin B1 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	334
Amino acid sequence	MASQASLKLQPSNQSQQAPPNITSCEGAPEAWDLLCRVLPGFVITVCFFGLLGNLLVLSFFLLPWRRWWQQRRQRLTIAEIYLANLAASDLVFVLGLPFWAENVGNRFNWPFGSDLCRVVSGVIKANLFISIFLVVAISQDRYRLLVYPMTSWGNRRRRQAQVTCLLIWVAGGLLSTPTFLLRSVKVVPDLNISACILLFPHEAWHFVRMVELNVLGFLLPLAAILYFNFHILASLRGQKEASRTRCGGPKDSKTMGLILTLVASFLVCWAPYHFFAFLDFLVQVRVIQDCFWKELTDLGLQLANFFAFVNSCLNPLIYVFAGRLFKTRVLGTL
UniProt	Q61125
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	CHEMBL1250407
IUPHAR	41
DrugBank	N/A

Ligand

Name	CHEMBL2087410
Molecular formula	C24H32N4O5S
IUPAC name	N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2-[2-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide
Molecular weight	488.603
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.2
Synonyms	SCHEMBL4036844 BDBM50420596
Inchi Key	DQWSFMHZKZGDJV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H32N4O5S/c1-18-15-21(32-4)9-10-22(18)34(30,31)28(3)13-14-33-17-23(29)27(2)16-19-5-7-20(8-6-19)24-25-11-12-26-24/h5-10,15H,11-14,16-17H2,1-4H3,(H,25,26)
PubChem CID	57342847
ChEMBL	CHEMBL2087410
IUPHAR	N/A
BindingDB	50420596
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
pKb	6.9 -	PMID22369198	ChEMBL

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