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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	CHEMBL130775
Molecular formula	C35H33N3O3S
IUPAC name	4-[(E)-3-[[3-[2,4-dimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]thiophen-2-yl]methylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
Molecular weight	575.727
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	6.6
Synonyms	(E)-N-[[3-[2,4-Dimethyl-3-[[(2-methylquinoline-8-yl)oxy]methyl]phenyl]thiophene-2-yl]methyl]-3-[4-[(methylamino)carbonyl]phenyl]propenamide BDBM50067919 L016696 4-[(E)-2-({3-[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-thiophen-2-ylmethyl}-carbamoyl)-vinyl]-N-methyl-benzamide
Inchi Key	GEDBHIQVLMPYSQ-SFQUDFHCSA-N
Inchi ID	InChI=1S/C35H33N3O3S/c1-22-8-16-28(24(3)30(22)21-41-31-7-5-6-26-13-9-23(2)38-34(26)31)29-18-19-42-32(29)20-37-33(39)17-12-25-10-14-27(15-11-25)35(40)36-4/h5-19H,20-21H2,1-4H3,(H,36,40)(H,37,39)/b17-12+
PubChem CID	10769485
ChEMBL	CHEMBL130775
IUPHAR	N/A
BindingDB	50067919
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
IC50	5.8 nM	PMID9804698	BindingDB,ChEMBL

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