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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.
Go to the GPCR page and check other ligands which interact with it.
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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	1103458-91-8
Molecular formula	C29H30N6O3
IUPAC name	4-(6-methoxypyridin-3-yl)-N-[2-methyl-3-[(6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]phenyl]benzamide
Molecular weight	510.598
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.7
Synonyms	BDBM50412987 ZINC40917971 PB11309 BENZAMIDE, 4-(6-METHOXY-3-PYRIDINYL)-N-[2-METHYL-3-[[6-OXO-4-(1-PIPERAZINYL)-1(6H)-PYRIDAZINYL]METHYL]PHENYL]- 4-(6-Methoxy-3-pyridyl)-N-[2-methyl-3-[(6-oxo-4-piperazin-1-yl-pyridazin-1-yl)methyl]phenyl]benzamide CHEMBL475965 AKOS025291374 SCHEMBL1162246 Benzamide,4-(6-methoxy-3-pyridinyl)-N-[2-methyl-3-[[6-oxo-4-(1-piperazinyl)-1(6H)-pyridazinyl]methyl]phenyl]- 4-(6-Methoxypyridin-3-yl)-N-(2-methyl-3-((6-oxo-4-(piperazin-1-yl)pyridazin-1(6H)-yl)methyl)phenyl)benzamide KB-74940 [ Show all ]
Inchi Key	IFWGJAXMPXZADJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)
PubChem CID	25209705
ChEMBL	CHEMBL475965
IUPHAR	N/A
BindingDB	50412987
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	>10.0 %	PMID19146417	ChEMBL

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