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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	CHEMBL571758
Molecular formula	C14H11BrClN3
IUPAC name	7-bromo-N-(3-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine
Molecular weight	336.617
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.1
Synonyms	(7-Bromo-1-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)-(3-chloro-phenyl)-amine JFIOFXPCIFBCIW-UHFFFAOYSA-N SCHEMBL3993495
Inchi Key	JFIOFXPCIFBCIW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H11BrClN3/c1-19-6-5-11-13(19)12(15)8-17-14(11)18-10-4-2-3-9(16)7-10/h2-8H,1H3,(H,17,18)
PubChem CID	45487767
ChEMBL	CHEMBL571758
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
Activity	>10.0 %	PMID19743867	ChEMBL

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