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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL2163705
Molecular formula	C30H26F3N7O6S
IUPAC name	N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-yl]-2-phenylethanesulfonamide
Molecular weight	669.636
Hydrogen bond acceptor	16
Hydrogen bond donor	1
XlogP	4.4
Synonyms	BDBM50395661
Inchi Key	BTPMMVWQHRCMQR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H26F3N7O6S/c1-43-22-10-5-6-11-23(22)46-24-25(40-47(41,42)17-12-20-8-3-2-4-9-20)38-27(26-34-13-7-14-35-26)39-28(24)44-15-16-45-29-36-18-21(19-37-29)30(31,32)33/h2-11,13-14,18-19H,12,15-17H2,1H3,(H,38,39,40)
PubChem CID	71455062
ChEMBL	CHEMBL2163705
IUPHAR	N/A
BindingDB	50395661
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	145.0 nM	PMID22862294	BindingDB,ChEMBL

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