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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	B2 bradykinin receptor
Species	Cavia porcellus (Guinea pig)
Gene	BDKRB2
Synonym	B2R BK-2 receptor
Disease	N/A for non-human GPCRs
Length	372
Amino acid sequence	MFNITSQVSALNATLAQGNSCLDAEWWSWLNTIQAPFLWVLFVLAVLENIFVLSVFFLHKSSCTVAEIYLGNLAVADLILAFGLPFWAITIANNFDWLFGEVLCRMVNTMIQMNMYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCALLLSSPMLVFRTMKDYRDEGHNVTACLIIYPSLTWQVFTNVLLNLVGFLLPLSIITFCTVQIMQVLRNNEMQKFKEIQTERRATVLVLAVLLLFVVCWLPFQIGTFLDTLRLLGFLPGCWEHVIDLITQISSYLAYSNSCLNPLVYVIVGKRFRKKSREVYHGLCRSGGCVSEPAQSENSMGTLRTSISVDRQIHKLQDWARSSSEGTPPGLL
UniProt	O70526
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	CHEMBL4111
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL113502
Molecular formula	C25H27N5O4
IUPAC name	N-[2-cyano-4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-2-(ethylcarbamoylamino)-N-methylacetamide
Molecular weight	461.522
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.6
Synonyms	SCHEMBL6578818 BDBM50074987 L018196 N-[2-Cyano-4-methoxy-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-2-(3-ethyl-ureido)-N-methyl-acetamide
Inchi Key	GSMWKYQZPCPTFR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H27N5O4/c1-5-27-25(32)28-14-23(31)30(3)20-11-12-21(33-4)19(18(20)13-26)15-34-22-8-6-7-17-10-9-16(2)29-24(17)22/h6-12H,5,14-15H2,1-4H3,(H2,27,28,32)
PubChem CID	22008916
ChEMBL	CHEMBL113502
IUPHAR	N/A
BindingDB	50074987
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	450.0 nM	PMID10091678	BindingDB,ChEMBL
IC50	53.8 nM	PMID10091678	ChEMBL
IC50	54.0 nM	PMID10091678	BindingDB
Ki	6.0 nM	PMID10091678	BindingDB,ChEMBL

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