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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	CHEMBL55853
Molecular formula	C25H19NO6
IUPAC name	4-(1,3-benzodioxol-5-yl)-1-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxylic acid
Molecular weight	429.428
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.3
Synonyms	4-Benzo[1,3]dioxol-5-yl-1-(2-methoxy-benzyl)-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid SCHEMBL6315635 BDBM50289730 L016181
Inchi Key	AFIJWQFQSLIFMC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H19NO6/c1-30-19-9-5-2-6-16(19)13-26-18-8-4-3-7-17(18)22(23(24(26)27)25(28)29)15-10-11-20-21(12-15)32-14-31-20/h2-12H,13-14H2,1H3,(H,28,29)
PubChem CID	10238141
ChEMBL	CHEMBL55853
IUPHAR	N/A
BindingDB	50289730
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	2000.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:14:1883	BindingDB,ChEMBL

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