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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	UNII-7W7511NPF8
Molecular formula	C20H20N2O3S
IUPAC name	1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid
Molecular weight	368.451
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.8
Synonyms	1-{[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl}piperidine-4-carboxylic acid CHEMBL481280 AKOS032948037 Piperidine-4-carboxylic acid, 1-(4-(benzothiazol-2-yloxy)benzyl)- 1-[4-(Benzothiazol-2-yloxy)benzyl]piperidine-4-carboxylic Acid BGW 7W7511NPF8 JNJ 26993135 BDBM24239 SCHEMBL1896239 1-(4-(benzothiazol-2-yloxy)benzyl)piperidine-4-carboxylic acid 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid 841202-16-2 JNJ-26993135 1-(4-(benzo[d]thiazol-2-yloxy)benzyl)piperidine-4-carboxylic acid Benzthiazole compound, 33r [ Show all ]
Inchi Key	BUZBVOKDNAZIIM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20N2O3S/c23-19(24)15-9-11-22(12-10-15)13-14-5-7-16(8-6-14)25-20-21-17-3-1-2-4-18(17)26-20/h1-8,15H,9-13H2,(H,23,24)
PubChem CID	11245596
ChEMBL	CHEMBL481280
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	>10.0 %	PMID18588282	ChEMBL

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