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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	CHEMBL176992
Molecular formula	C30H41N5O4S
IUPAC name	2-[(1R)-1-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-propyl-1,3-thiazole-4-carboxylic acid
Molecular weight	567.749
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	5.6
Synonyms	2-[(R)-1-[[N-[[(Hexahydro-1H-azepin)-1-yl]carbonyl]-L-leucyl]amino]-2-(1H-indol-3-yl)ethyl]-5-propylthiazole-4-carboxylic acid BDBM50049993 SCHEMBL9111963 2-[(R)-1-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-2-(1H-indol-3-yl)-ethyl]-5-propyl-thiazole-4-carboxylic acid
Inchi Key	AMWBNAUCSURVEV-BJKOFHAPSA-N
Inchi ID	InChI=1S/C30H41N5O4S/c1-4-11-25-26(29(37)38)34-28(40-25)24(17-20-18-31-22-13-8-7-12-21(20)22)32-27(36)23(16-19(2)3)33-30(39)35-14-9-5-6-10-15-35/h7-8,12-13,18-19,23-24,31H,4-6,9-11,14-17H2,1-3H3,(H,32,36)(H,33,39)(H,37,38)/t23-,24+/m0/s1
PubChem CID	10816835
ChEMBL	CHEMBL176992
IUPHAR	N/A
BindingDB	50049993
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	36000.0 nM	PMID8632419	BindingDB,ChEMBL

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