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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-1 receptor
Species	Homo sapiens (Human)
Gene	EDNRA
Synonym	ET-A ETA-R hET-AR ETA receptor ENDOR endothelin A receptor Endothelin receptor type A {ECO:0000312\|HGNC:HGNC:3179} ET-AR endothelin-1 receptor Gpcr10 [ Show all ]
Disease	Vasospasm following subarachnoid hemorrhage Hormone refractory prostate cancer Hormone resistant prostate cancer Hypertension Hypotension Nerve injury Premature labour Prostate cancer Pulmonary arterial hypertension Pulmonary hypertension Solid tumours Unspecified Heart disease Cerebrovascular disorders Diabetic nephropathy [ Show all ]
Length	427
Amino acid sequence	METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRSSHKDSMN
UniProt	P25101
Protein Data Bank	N/A
GPCR-HGmod model	P25101
3D structure model	This predicted structure model is from GPCR-EXP P25101.
BioLiP	N/A
Therapeutic Target Database	T23499
ChEMBL	CHEMBL252
IUPHAR	219
DrugBank	BE0000521

Ligand

Name	CHEMBL342615
Molecular formula	C30H42N6O8S
IUPAC name	[(3R,6S,9R,12S,15R)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]methanesulfonic acid
Molecular weight	646.76
Hydrogen bond acceptor	8
Hydrogen bond donor	6
XlogP	1.6
Synonyms	[(5R,8S,11R,14S,16aR)-8-(1H-Indol-3-ylmethyl)-11-isobutyl-14-isopropyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-5-yl]-methanesulfonic acid BDBM50029351
Inchi Key	BDGDGFUNKMWECN-MQZWXTIWSA-N
Inchi ID	InChI=1S/C30H42N6O8S/c1-16(2)12-21-26(37)32-22(13-18-14-31-20-9-6-5-8-19(18)20)27(38)34-23(15-45(42,43)44)30(41)36-11-7-10-24(36)28(39)35-25(17(3)4)29(40)33-21/h5-6,8-9,14,16-17,21-25,31H,7,10-13,15H2,1-4H3,(H,32,37)(H,33,40)(H,34,38)(H,35,39)(H,42,43,44)/t21-,22+,23+,24-,25+/m1/s1
PubChem CID	44357212
ChEMBL	CHEMBL342615
IUPHAR	N/A
BindingDB	50029351
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	30.0 nM	PMID7473559	BindingDB,ChEMBL

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