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GLASS

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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	CHEMBL154188
Molecular formula	C20H19BrCl2N4O3
IUPAC name	2-acetamido-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
Molecular weight	514.201
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.6
Synonyms	CHEMBL558018 8-[3-[N-(acetylglycyl)-N-methylamino]-2,6-dichlorobenzyloxy]-3-bromo-2-methylimidazo[1,2-a]pyridine 2-Acetylamino-N-[3-(3-bromo-2-methyl-imidazo[1,2-a]pyridin-8-yloxymethyl)-2,4-dichloro-phenyl]-N-methyl-acetamide; hydrochloride N-Methyl-N-[2,4-dichloro-3-[(2-methyl-3-bromoimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(acetylamino)acetamide AVLLBMJSRITQLF-UHFFFAOYSA-N SCHEMBL8566248 BDBM50062863 [ Show all ]
Inchi Key	AVLLBMJSRITQLF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19BrCl2N4O3/c1-11-19(21)27-8-4-5-16(20(27)25-11)30-10-13-14(22)6-7-15(18(13)23)26(3)17(29)9-24-12(2)28/h4-8H,9-10H2,1-3H3,(H,24,28)
PubChem CID	10601892
ChEMBL	CHEMBL154188
IUPHAR	N/A
BindingDB	50062863
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4100.0 nM	PMID9767642	BindingDB

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