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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	B1 bradykinin receptor
Species	Oryctolagus cuniculus (Rabbit)
Gene	BDKRB1
Synonym	B1R BK-1 receptor
Disease	N/A for non-human GPCRs
Length	352
Amino acid sequence	MASQGPLELQPSNQSQLAPPNATSCSGAPDAWDLLHRLLPTFIIAIFTLGLLGNSFVLSVFLLARRRLSVAEIYLANLAASDLVFVLGLPFWAENVRNQFDWPFGAALCRIVNGVIKANLFISIFLVVAISQDRYSVLVHPMASRRGRRRRQAQATCALIWLAGGLLSTPTFVLRSVRAVPELNVSACILLLPHEAWHWLRMVELNLLGFLLPLAAILFFNCHILASLRRRGERVPSRCGGPRDSKSTALILTLVASFLVCWAPYHFFAFLECLWQVHAIGGCFWEEFTDLGLQLSNFSAFVNSCLNPVIYVFVGRLFRTKVWELCQQCSPRSLAPVSSSRRKEMLWGFWRN
UniProt	P48748
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4087
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL387638
Molecular formula	C24H20ClFN8O
IUPAC name	N-[4-chloro-2-[[(1R)-1-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]amino]pyridin-3-yl]-2-cyanoacetamide
Molecular weight	490.927
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.9
Synonyms	BDBM50157511 N-(4-chloro-2-{(R)-1-[3''-fluoro-2''-(2-methyl-2H-tetrazol-5-yl)-biphenyl-4-yl]-ethylamino}-pyridin-3-yl)-2-cyano-acetamide
Inchi Key	OMBKLIDWTOUDSR-CQSZACIVSA-N
Inchi ID	InChI=1S/C24H20ClFN8O/c1-14(29-24-22(18(25)11-13-28-24)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)23-31-33-34(2)32-23/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1
PubChem CID	11225601
ChEMBL	CHEMBL387638
IUPHAR	N/A
BindingDB	50157511
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
AD50	0.28 mg kg-1	PMID15588075	ChEMBL
IC50	3.9 nM	PMID15588075	BindingDB,ChEMBL
Ki	3.0 nM	PMID15588075	BindingDB,ChEMBL

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