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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	CHEMBL266143
Molecular formula	C26H26N2O5
IUPAC name	(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid
Molecular weight	446.503
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.3
Synonyms	(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-(2-pyridin-2-yl-ethyl)-pyrrolidine-3-carboxylic acid BDBM50051017 1-[2-(2-Pyridinyl)ethyl]-2alpha-(4-methoxyphenyl)-4alpha-(1,3-benzodioxol-5-yl)pyrrolidine-3beta-carboxylic acid
Inchi Key	APUCFGMBXSLHQL-GVXSCFBNSA-N
Inchi ID	InChI=1S/C26H26N2O5/c1-31-20-8-5-17(6-9-20)25-24(26(29)30)21(18-7-10-22-23(14-18)33-16-32-22)15-28(25)13-11-19-4-2-3-12-27-19/h2-10,12,14,21,24-25H,11,13,15-16H2,1H3,(H,29,30)/t21-,24-,25+/m0/s1
PubChem CID	10742024
ChEMBL	CHEMBL266143
IUPHAR	N/A
BindingDB	50051017
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	900.0 nM	PMID8676339	BindingDB,ChEMBL

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