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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	CHEMBL37338
Molecular formula	C27H19ClKNO7
IUPAC name	potassium;1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-[(3-methoxycarbonylphenyl)methyl]-4-oxoquinoline-2-carboxylate
Molecular weight	543.997
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	None
Synonyms	1-(6-Chloro-1,3-benzodioxole-5-ylmethyl)-3-[3-(methoxycarbonyl)benzyl]-4-oxo-1,4-dihydroquinoline-2-carboxylic acid potassium salt
Inchi Key	CZRGJGXEHXIYNC-UHFFFAOYSA-M
Inchi ID	InChI=1S/C27H20ClNO7.K/c1-34-27(33)16-6-4-5-15(9-16)10-19-24(26(31)32)29(21-8-3-2-7-18(21)25(19)30)13-17-11-22-23(12-20(17)28)36-14-35-22;/h2-9,11-12H,10,13-14H2,1H3,(H,31,32);/q;+1/p-1
PubChem CID	44283736
ChEMBL	CHEMBL37338
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Binding affinity	8.2 nM	PMID10888339	ChEMBL

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