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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	CHEMBL94438
Molecular formula	C30H26F2N4O4
IUPAC name	(2S)-2-[(5S)-1-[(2,5-difluorophenyl)methyl]-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid
Molecular weight	544.559
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	2.1
Synonyms	(S)-[(S)-1-(2,5-Difluoro-benzyl)-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-(4,6-dimethyl-pyrimidin-2-yloxy)-acetic acid BDBM50146703
Inchi Key	ADOZPFPWNPYHGT-OFSOJUDTSA-N
Inchi ID	InChI=1S/C30H26F2N4O4/c1-18-14-19(2)35-29(34-18)40-27(28(38)39)30(21-8-4-3-5-9-21)23-10-6-7-11-25(23)36(26(37)16-33-30)17-20-15-22(31)12-13-24(20)32/h3-15,27,33H,16-17H2,1-2H3,(H,38,39)/t27-,30+/m1/s1
PubChem CID	11191999
ChEMBL	CHEMBL94438
IUPHAR	N/A
BindingDB	50146703
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	32.9 nM	PMID15139756	BindingDB,ChEMBL

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