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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	CHEMBL325601
Molecular formula	C29H35N3O6S
IUPAC name	methyl 6-[[2-[4-methoxy-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2-methylsulfanylanilino]-2-oxoethyl]amino]-6-oxohexanoate
Molecular weight	553.674
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.7
Synonyms	BDBM50074994 L018199 5-[({[4-Methoxy-3-(2-methyl-quinolin-8-yloxymethyl)-2-methylsulfanyl-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-pentanoic acid methyl ester
Inchi Key	DWSHMWJCXXOESP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H35N3O6S/c1-19-13-14-20-9-8-10-24(28(20)31-19)38-18-21-23(36-3)16-15-22(29(21)39-5)32(2)26(34)17-30-25(33)11-6-7-12-27(35)37-4/h8-10,13-16H,6-7,11-12,17-18H2,1-5H3,(H,30,33)
PubChem CID	44214619
ChEMBL	CHEMBL325601
IUPHAR	N/A
BindingDB	50074994
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	480.0 nM	PMID10091678	BindingDB,ChEMBL
IC50	47.0 nM	PMID10091678	BindingDB
IC50	47.2 nM	PMID10091678	ChEMBL
Ki	5.4 nM	PMID10091678	BindingDB,ChEMBL

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