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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	Homo sapiens (Human)
Gene	BDKRB1
Synonym	kinin B1 receptor bradykinin receptor BKR1 BK-1 receptor B1R B1BKR B1 receptor [ Show all ]
Disease	Diabetic macular edema Rheumatoid arthritis Pain Osteoarthritis
Length	353
Amino acid sequence	MASSWPPLELQSSNQSQLFPQNATACDNAPEAWDLLHRVLPTFIISICFFGLLGNLFVLLVFLLPRRQLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGVIKANLFISIFLVVAISQDRYRVLVHPMASRRQQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHFARIVELNILGFLLPLAAIVFFNYHILASLRTREEVSRTRCGGRKDSKTTALILTLVVAFLVCWAPYHFFAFLEFLFQVQAVRGCFWEDFIDLGLQLANFFAFTNSSLNPVIYVFVGRLFRTKVWELYKQCTPKSLAPISSSHRKEIFQLFWRN
UniProt	P46663
Protein Data Bank	N/A
GPCR-HGmod model	P46663
3D structure model	This predicted structure model is from GPCR-EXP P46663.
BioLiP	N/A
Therapeutic Target Database	T58589
ChEMBL	CHEMBL4308
IUPHAR	41
DrugBank	BE0005831

Ligand

Name	913064-47-8
Molecular formula	C29H29ClN4O2
IUPAC name	7-chloro-2-[3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]-3H-isoindol-1-one
Molecular weight	501.027
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.4
Synonyms	7-chloro-2-(3-(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl)isoindolin-1-one BCP23812 EX-A2054 ZINC36475212 CHEMBL1254945 HY-15043 B5925 ELN-441958 SCHEMBL1712902 7-Chloro-2-[3-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]undecane-3-carbonyl)-phenyl]-2,3-dihydro-isoindol-1-one BDBM50326710 FT-0762514 1H-Isoindol-1-one, 7-chloro-2,3-dihydro-2-(3-((9-(4-pyridinyl)-3,9-diazaspiro(5.5)undec-3-yl)carbonyl)phenyl)- AKOS025293444 CS-4807 KB-76774 7-Chloro-2-(3-((9-(pyridin-4-yl)-3,9-diazaspiro(5.5)undecan-3-yl)carbonyl)phenyl)-2,3-dihydroisoindol-1-one BC600612 ELN441958 UNII-G62X909Y89 7-chloro-2-{3-[9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]phenyl}-2,3-dihydro-1H-isoindol-1-one G62X909Y89 3,9-Diazaspiro(5.5)undecane, 3-(3-(7-chloro-1,3-dihydro-1-oxo-2H-isoindol-2-yl)benzoyl)-9-(4-pyridinyl)- ARYQHSWJGHCGJS-UHFFFAOYSA-N ELN 441958 NCGC00485481-01 [ Show all ]
Inchi Key	ARYQHSWJGHCGJS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H29ClN4O2/c30-25-6-2-4-22-20-34(28(36)26(22)25)24-5-1-3-21(19-24)27(35)33-17-11-29(12-18-33)9-15-32(16-10-29)23-7-13-31-14-8-23/h1-8,13-14,19H,9-12,15-18,20H2
PubChem CID	11848206
ChEMBL	CHEMBL1254945
IUPHAR	N/A
BindingDB	50326710
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.26 nM	PMID20369879	BindingDB,ChEMBL

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