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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL9012
Molecular formula	C26H24FNO5
IUPAC name	(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight	449.478
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.9
Synonyms	(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-(4-fluoro-benzyl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid BDBM50051004 1-(4-Fluorobenzyl)-2alpha-(4-methoxyphenyl)-4alpha-(1,3-benzodioxol-5-yl)pyrrolidine-3beta-carboxylic acid
Inchi Key	FYBWTVIWGXJCAT-GVXSCFBNSA-N
Inchi ID	InChI=1S/C26H24FNO5/c1-31-20-9-4-17(5-10-20)25-24(26(29)30)21(18-6-11-22-23(12-18)33-15-32-22)14-28(25)13-16-2-7-19(27)8-3-16/h2-12,21,24-25H,13-15H2,1H3,(H,29,30)/t21-,24-,25+/m0/s1
PubChem CID	10647172
ChEMBL	CHEMBL9012
IUPHAR	N/A
BindingDB	50051004
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	4320.0 nM	PMID8676339	ChEMBL
IC50	4320.0 nM	PMID8676339	BindingDB

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