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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.
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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	CHEMBL470693
Molecular formula	C21H17ClN2O4S
IUPAC name	N-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide
Molecular weight	428.887
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.1
Synonyms	CTK3D6693 Acetamide, N-[4-[[[2-(3-chlorobenzoyl)phenyl]amino]sulfonyl]phenyl]- N-[4-({[2-(3-Chlorobenzoyl)phenyl]amino}sulfonyl)phenyl]-acetamide DTXSID10647844 AKOS030565335 827577-01-5 N-(4-{[2-(3-Chlorobenzoyl)phenyl]sulfamoyl}phenyl)acetamide BDBM50242841 [ Show all ]
Inchi Key	AVEOUUKYCPBIQO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H17ClN2O4S/c1-14(25)23-17-9-11-18(12-10-17)29(27,28)24-20-8-3-2-7-19(20)21(26)15-5-4-6-16(22)13-15/h2-13,24H,1H3,(H,23,25)
PubChem CID	24895114
ChEMBL	CHEMBL470693
IUPHAR	N/A
BindingDB	50242841
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	108.0 nM	PMID18553956	BindingDB,ChEMBL

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