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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL426413
Molecular formula	C30H40N6O4
IUPAC name	2-[(1R)-1-[[(2S)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-4-methylpentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylic acid
Molecular weight	548.688
Hydrogen bond acceptor	5
Hydrogen bond donor	5
XlogP	4.2
Synonyms	BDBM50050013 SCHEMBL9112569 2-[(R)-1-[(S)-2-(3-Bicyclo[2.2.1]hept-2-yl-ureido)-4-methyl-pentanoylamino]-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-1H-imidazole-4-carboxylic acid
Inchi Key	BALHDHSGMQLEOZ-URYGNDJSSA-N
Inchi ID	InChI=1S/C30H40N6O4/c1-16(2)11-24(34-30(40)33-22-13-18-9-10-19(22)12-18)28(37)32-23(27-31-17(3)26(35-27)29(38)39)14-20-15-36(4)25-8-6-5-7-21(20)25/h5-8,15-16,18-19,22-24H,9-14H2,1-4H3,(H,31,35)(H,32,37)(H,38,39)(H2,33,34,40)/t18?,19?,22?,23-,24+/m1/s1
PubChem CID	44387111
ChEMBL	CHEMBL426413
IUPHAR	N/A
BindingDB	50050013
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	19.0 nM	PMID8632420	BindingDB,ChEMBL
IC50	29.0 nM	PMID8632420	BindingDB,ChEMBL

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