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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.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL359553
Molecular formula	C31H29N5O4S
IUPAC name	N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[(2R)-1-naphthalen-2-ylsulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
Molecular weight	567.664
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.1
Synonyms	BDBM50156446 N-{2-[4-(4,5-Dihydro-1H-imidazol-2-yl)-phenyl]-ethyl}-2-[(R)-1-(naphthalene-2-sulfonyl)-3-oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl]-acetamide 4-(2-Naphthylsulfonyl)-3,4-dihydro-3beta-[2-[[2-[4-(4,5-dihydro-1H-imidazole-2-yl)phenyl]ethyl]amino]-2-oxoethyl]quinoxaline-2(1H)-one SCHEMBL6405218
Inchi Key	XYVOFUHXLRVWII-MUUNZHRXSA-N
Inchi ID	InChI=1S/C31H29N5O4S/c37-29(32-16-15-21-9-11-23(12-10-21)30-33-17-18-34-30)20-28-31(38)35-26-7-3-4-8-27(26)36(28)41(39,40)25-14-13-22-5-1-2-6-24(22)19-25/h1-14,19,28H,15-18,20H2,(H,32,37)(H,33,34)(H,35,38)/t28-/m1/s1
PubChem CID	11757682
ChEMBL	CHEMBL359553
IUPHAR	N/A
BindingDB	50156446
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.05 nM	PMID15546726	BindingDB,ChEMBL

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