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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	CHEMBL113176
Molecular formula	C32H30F3N3O4S
IUPAC name	(E)-N-[2-[2-methoxy-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-4-methylsulfanylanilino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
Molecular weight	609.664
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	6.2
Synonyms	BDBM50074995 (E)-N-({[2-Methoxy-3-(2-methyl-quinolin-8-yloxymethyl)-4-methylsulfanyl-phenyl]-methyl-carbamoyl}-methyl)-3-(4-trifluoromethyl-phenyl)-acrylamide
Inchi Key	CNQXHTZBJVYQCO-GZTJUZNOSA-N
Inchi ID	InChI=1S/C32H30F3N3O4S/c1-20-8-12-22-6-5-7-26(30(22)37-20)42-19-24-27(43-4)16-15-25(31(24)41-3)38(2)29(40)18-36-28(39)17-11-21-9-13-23(14-10-21)32(33,34)35/h5-17H,18-19H2,1-4H3,(H,36,39)/b17-11+
PubChem CID	44340964
ChEMBL	CHEMBL113176
IUPHAR	N/A
BindingDB	50074995
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	1100.0 nM	PMID10091678	BindingDB,ChEMBL
IC50	393.0 nM	PMID10091678	BindingDB,ChEMBL
Ki	45.0 nM	PMID10091678	BindingDB
Ki	45.4 nM	PMID10091678	ChEMBL

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