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GLASS

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

Name	Endothelin receptor type B
Species	Homo sapiens (Human)
Gene	EDNRB
Synonym	endothelin B receptor HSCR2 HSCR ETB receptor ET-BR ET-B Endothelin receptor non-selective type [ Show all ]
Disease	Arrhythmia Hypertension Pulmonary arterial hypertension Solid tumours Cancer Cardiovascular disorder [ Show all ]
Length	442
Amino acid sequence	MQPPPSLCGRALVALVLACGLSRIWGEERGFPPDRATPLLQTAEIMTPPTKTLWPKGSNASLARSLAPAEVPKGDRTAGSPPRTISPPPCQGPIEIKETFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIVIDIPINVYKLLAEDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDIITMDYKGSYLRICLLHPVQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYNQNDPNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProt	P24530
Protein Data Bank	6igl, 6igk, 5xpr, 5x93
GPCR-HGmod model	P24530
3D structure model	This structure is from PDB ID 6igl.
BioLiP	BL0388813, BL0433639, BL0433638, BL0388896, BL0388814
Therapeutic Target Database	T92828
ChEMBL	CHEMBL1785
IUPHAR	220
DrugBank	BE0000043

Ligand

Name	CHEMBL172071
Molecular formula	C26H33N5O7S2
IUPAC name	N-[2-cyclopropyl-6-[2-(ethylsulfonylamino)ethoxy]-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
Molecular weight	591.698
Hydrogen bond acceptor	12
Hydrogen bond donor	2
XlogP	3.3
Synonyms	5-Isopropyl-pyridine-2-sulfonic acid [2-cyclopropyl-6-(2-ethanesulfonylamino-ethoxy)-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide N-[2-[2-Cyclopropyl-5-(2-methoxyphenoxy)6-(5-isopropyl-2-pyridinylsulfonylamino)-4-pyrimidinyloxy]ethyl]ethanesulfonamide 5-i-propyl-N-[6-(2-ethanesulfonylamino-ethoxy)-5-(o-methoxyphenoxy)-2-cyclopropyl-pyrimidin-4-yl]-pyridine-2-sulfonamide SCHEMBL7196209 BDBM50124428 GWBCKOWLDKFIHO-UHFFFAOYSA-N [ Show all ]
Inchi Key	GWBCKOWLDKFIHO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H33N5O7S2/c1-5-39(32,33)28-14-15-37-26-23(38-21-9-7-6-8-20(21)36-4)25(29-24(30-26)18-10-11-18)31-40(34,35)22-13-12-19(16-27-22)17(2)3/h6-9,12-13,16-18,28H,5,10-11,14-15H2,1-4H3,(H,29,30,31)
PubChem CID	9873255
ChEMBL	CHEMBL172071
IUPHAR	N/A
BindingDB	50124428
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	397.0 nM	PMID12617928	BindingDB
IC50	397.0 nM	PMID12617928	ChEMBL

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