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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL540897
Molecular formula	C38H68N4OP+
IUPAC name	tributyl-[[4-[[(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-4-methylpentanoyl]amino]phenyl]methyl]phosphanium
Molecular weight	627.963
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	9.0
Synonyms	BDBM50286356 2-(N'',N''''-Dicyclohexyl-guanidino)-4-methyl-pentanoic acid [4-(tributyl-lambda5-phosphanylmethyl)-phenyl]-amide; chloride CHEMBL1190475 CHEMBL1199685
Inchi Key	ACSOUKQYPFMWHH-BHVANESWSA-O
Inchi ID	InChI=1S/C38H67N4OP/c1-6-9-26-44(27-10-7-2,28-11-8-3)30-32-22-24-35(25-23-32)39-37(43)36(29-31(4)5)42-38(40-33-18-14-12-15-19-33)41-34-20-16-13-17-21-34/h22-25,31,33-34,36H,6-21,26-30H2,1-5H3,(H2-,39,40,41,42,43)/p+1/t36-/m0/s1
PubChem CID	44320312
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50286356
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
Ki	<100000.0 nM	N/A	BindingDB

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