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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	CHEMBL170335
Molecular formula	C23H32O5
IUPAC name	[(5R,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate
Molecular weight	388.504
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.4
Synonyms	(2E,4E,6E)-Octa-2,4,6-trienoic acid (5R,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-1,3,5,5a,6,7,8,9,9a,9b-decahydro-naphtho[1,2-c]furan-5-yl ester BDBM50088849
Inchi Key	BIBMODCOJDZAGU-ROOWPLTDSA-N
Inchi ID	InChI=1S/C23H32O5/c1-5-6-7-8-9-11-18(24)28-17-14-16-15-27-20(25)23(16,26)22(4)13-10-12-21(2,3)19(17)22/h5-9,11,14,17,19-20,25-26H,10,12-13,15H2,1-4H3/b6-5+,8-7+,11-9+/t17-,19?,20?,22+,23+/m1/s1
PubChem CID	44383537
ChEMBL	CHEMBL170335
IUPHAR	N/A
BindingDB	50088849
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	21000.0 nM	PMID10853654	BindingDB,ChEMBL
IC50	41000.0 nM	PMID10853654	BindingDB,ChEMBL

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