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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	Rattus norvegicus (Rat)
Gene	Ednra
Synonym	endothelin A receptor Endothelin receptor type A {ECO:0000312\|RGD:2535} ENDOR endothelin-1 receptor ET-A ET-AR ETA receptor Gpcr10 [ Show all ]
Disease	N/A for non-human GPCRs
Length	426
Amino acid sequence	MGVLCFLASFWLALVGGAIADNAERYSANLSSHVEDFTPFPGTEFNFLGTTLQPPNLALPSNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEQHRTCMLNATTKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNHNTERSSHKDSMN
UniProt	P26684
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	CHEMBL4566
IUPHAR	219
DrugBank	N/A

Ligand

Name	CHEMBL172760
Molecular formula	C34H41N5O4S
IUPAC name	2-[(1R)-1-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-benzyl-1,3-thiazole-4-carboxylic acid
Molecular weight	615.793
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	6.3
Synonyms	2-[(R)-1-[[N-[[(Hexahydro-1H-azepin)-1-yl]carbonyl]-L-leucyl]amino]-2-(1H-indol-3-yl)ethyl]-5-benzylthiazole-4-carboxylic acid BDBM50049988 SCHEMBL9109959 2-[(R)-1-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-2-(1H-indol-3-yl)-ethyl]-5-benzyl-thiazole-4-carboxylic acid
Inchi Key	FNOGBKGDOUJWGR-WUFINQPMSA-N
Inchi ID	InChI=1S/C34H41N5O4S/c1-22(2)18-27(37-34(43)39-16-10-3-4-11-17-39)31(40)36-28(20-24-21-35-26-15-9-8-14-25(24)26)32-38-30(33(41)42)29(44-32)19-23-12-6-5-7-13-23/h5-9,12-15,21-22,27-28,35H,3-4,10-11,16-20H2,1-2H3,(H,36,40)(H,37,43)(H,41,42)/t27-,28+/m0/s1
PubChem CID	10793886
ChEMBL	CHEMBL172760
IUPHAR	N/A
BindingDB	50049988
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	39000.0 nM	PMID8632419	BindingDB,ChEMBL

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