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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	Homo sapiens (Human)
Gene	BDKRB2
Synonym	B2R B2BRA BK-2 receptor B2BKR B2 receptor BK2R bradykinin receptor [ Show all ]
Disease	Unspecified Cancer Hereditary angioedema Inflammatory disease Osteoarthritis Pain Rhinitis Septic shock Traumatic brain injury Brain cancer Asthma [ Show all ]
Length	391
Amino acid sequence	MFSPWKISMFLSVREDSVPTTASFSADMLNVTLQGPTLNGTFAQSKCPQVEWLGWLNTIQPPFLWVLFVLATLENIFVLSVFCLHKSSCTVAEIYLGNLAAADLILACGLPFWAITISNNFDWLFGETLCRVVNAIISMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCTLLLSSPMLVFRTMKEYSDEGHNVTACVISYPSLIWEVFTNMLLNVVGFLLPLSVITFCTMQIMQVLRNNEMQKFKEIQTERRATVLVLVVLLLFIICWLPFQISTFLDTLHRLGILSSCQDERIIDVITQIASFMAYSNSCLNPLVYVIVGKRFRKKSWEVYQGVCQKGGCRSEPIQMENSMGTLRTSISVERQIHKLQDWAGSRQ
UniProt	P30411
Protein Data Bank	N/A
GPCR-HGmod model	P30411
3D structure model	This predicted structure model is from GPCR-EXP P30411.
BioLiP	N/A
Therapeutic Target Database	T23714
ChEMBL	CHEMBL3157
IUPHAR	42
DrugBank	BE0003513

Ligand

Name	CHEMBL221683
Molecular formula	C35H46Cl2N5O5S+
IUPAC name	[4-[4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-4-oxobutyl]-trimethylazanium
Molecular weight	719.743
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.8
Synonyms	BDBM50411269 SCHEMBL4245692
Inchi Key	FITBAVZSOSBRLL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C35H46Cl2N5O5S/c1-24-22-25(2)38-33-26(24)10-8-11-29(33)47-23-27-28(36)13-14-30(32(27)37)48(45,46)39-35(15-6-7-16-35)34(44)41-19-17-40(18-20-41)31(43)12-9-21-42(3,4)5/h8,10-11,13-14,22,39H,6-7,9,12,15-21,23H2,1-5H3/q+1
PubChem CID	10396101
ChEMBL	CHEMBL221683
IUPHAR	N/A
BindingDB	50411269
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Kd	1.995 nM	PMID17266207	ChEMBL
Kd	2.0 nM	PMID17266207	BindingDB
Ki	0.3981 nM	PMID17266207	ChEMBL

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