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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	CHEMBL347948
Molecular formula	C43H57N7O10
IUPAC name	(3R)-3-[[(2R)-1-[(2R)-2-acetamido-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-[[(2R,3S)-1-[[(2R,3S)-1-[[(1R)-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	831.968
Hydrogen bond acceptor	10
Hydrogen bond donor	8
XlogP	3.3
Synonyms	(R)-3-{[(R)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-N-((1R,2S)-1-{(1R,2S)-1-[(R)-1-carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-methyl-butyl)-succinamic acid BDBM50281586
Inchi Key	DEJOFTGYMOOOMQ-XHOJCBQOSA-N
Inchi ID	InChI=1S/C43H57N7O10/c1-6-24(3)36(40(56)47-33(43(59)60)21-28-23-44-30-17-12-11-16-29(28)30)49-41(57)37(25(4)7-2)48-38(54)31(22-35(52)53)46-39(55)34-18-13-19-50(34)42(58)32(45-26(5)51)20-27-14-9-8-10-15-27/h8-12,14-17,23-25,31-34,36-37,44H,6-7,13,18-22H2,1-5H3,(H,45,51)(H,46,55)(H,47,56)(H,48,54)(H,49,57)(H,52,53)(H,59,60)/t24-,25-,31+,32+,33+,34+,36+,37+/m0/s1
PubChem CID	44366010
ChEMBL	CHEMBL347948
IUPHAR	N/A
BindingDB	50281586
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	45.0 nM	, Bioorg. Med. Chem. Lett., (1993) 3:4:519	BindingDB,ChEMBL

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