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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	CHEMBL205093
Molecular formula	C34H46Cl2N6O5S
IUPAC name	N-[1-[4-[(3S)-3-amino-6-(dimethylamino)hexanoyl]piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]-2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]benzenesulfonamide
Molecular weight	721.739
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.8
Synonyms	SCHEMBL4069493 BDBM50410927
Inchi Key	BYOMNESVGLGCIF-DEOSSOPVSA-N
Inchi ID	InChI=1S/C34H46Cl2N6O5S/c1-22-19-23(2)38-32-25(22)10-7-11-28(32)47-21-26-27(35)12-13-29(31(26)36)48(45,46)39-34(3,4)33(44)42-17-15-41(16-18-42)30(43)20-24(37)9-8-14-40(5)6/h7,10-13,19,24,39H,8-9,14-18,20-21,37H2,1-6H3/t24-/m0/s1
PubChem CID	10439868
ChEMBL	CHEMBL205093
IUPHAR	N/A
BindingDB	50410927
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Kd	2.51 nM	PMID16759102, PMID17266207	BindingDB
Kd	2.512 nM	PMID16759102, PMID17266207	ChEMBL
Ki	0.631 nM	PMID16759102, PMID17266207	ChEMBL

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