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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	CHEMBL326191
Molecular formula	C30H40N2O5
IUPAC name	(2R,3R,4S)-1-[2-(dibutylamino)-2-oxoethyl]-4-(2,3-dihydro-1-benzofuran-6-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight	508.659
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.6
Synonyms	1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran-6-yl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid BDBM50056081 2beta-(4-Methoxyphenyl)-4beta-(2,3-dihydrobenzofuran-6-yl)-1-(dibutylcarbamoylmethyl)pyrrolidine-3alpha-carboxylic acid (2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran-6-yl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
Inchi Key	AFEYCZJMYZYJSC-ZJGIAAPESA-N
Inchi ID	InChI=1S/C30H40N2O5/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(23-9-8-21-14-17-37-26(21)18-23)28(30(34)35)29(32)22-10-12-24(36-3)13-11-22/h8-13,18,25,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1
PubChem CID	10649321
ChEMBL	CHEMBL326191
IUPHAR	N/A
BindingDB	50056081
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1.0 nM	PMID9022798	BindingDB,ChEMBL
IC50	1.2 nM	PMID11689084	BindingDB,ChEMBL

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