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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	Mus musculus (Mouse)
Gene	Ednra
Synonym	ETA receptor ET-AR ET-A endothelin-1 receptor Endothelin receptor type A {ECO:0000312\|MGI:MGI:105923} endothelin A receptor ENDOR Gpcr10 [ Show all ]
Disease	N/A for non-human GPCRs
Length	427
Amino acid sequence	MSIFCLAAYFWLTMVGGVMADNPERYSANLSSHMEDFTPFPGTEINFLGTTHRPPNLALPSNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGELHRTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNNHNTERSSHKDSMN
UniProt	Q61614
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2286
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL147058
Molecular formula	C47H59N7O11
IUPAC name	(3S)-3-[[(2S)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[(2S,3R)-1-[[(2S,3R)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	898.027
Hydrogen bond acceptor	11
Hydrogen bond donor	10
XlogP	3.8
Synonyms	(S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-3-(4-hydroxy-phenyl)-propionylamino]-N-((1S,2R)-1-{(1S,2R)-1-[(S)-1-carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-methyl-butyl)-succinamic acid BDBM50281575
Inchi Key	PABZTZMAQFCTCS-JACGHDLRSA-N
Inchi ID	InChI=1S/C47H59N7O11/c1-6-26(3)40(45(62)52-38(47(64)65)23-31-25-48-34-16-12-11-15-33(31)34)54-46(63)41(27(4)7-2)53-44(61)37(24-39(57)58)51-43(60)36(22-30-17-19-32(56)20-18-30)50-42(59)35(49-28(5)55)21-29-13-9-8-10-14-29/h8-20,25-27,35-38,40-41,48,56H,6-7,21-24H2,1-5H3,(H,49,55)(H,50,59)(H,51,60)(H,52,62)(H,53,61)(H,54,63)(H,57,58)(H,64,65)/t26-,27-,35-,36+,37+,38+,40+,41+/m1/s1
PubChem CID	44366015
ChEMBL	CHEMBL147058
IUPHAR	N/A
BindingDB	50281575
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	77.0 nM	, Bioorg. Med. Chem. Lett., (1993) 3:4:519	BindingDB,ChEMBL

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