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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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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	CHEMBL283037
Molecular formula	C22H21F3N2O5
IUPAC name	2-[4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]oxyethanol
Molecular weight	450.414
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	4.1
Synonyms	2-[1-(3-Methoxybenzyl)-3-(trifluoromethyl)-4-(1,3-benzodioxole-5-ylmethyl)-1H-pyrazole-5-yloxy]ethanol BDBM50089718 SCHEMBL9055213 2-[4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)-5-trifluoromethyl-2H-pyrazol-3-yloxy]-ethanol
Inchi Key	CTVCWMDGTLMFFO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21F3N2O5/c1-29-16-4-2-3-15(9-16)12-27-21(30-8-7-28)17(20(26-27)22(23,24)25)10-14-5-6-18-19(11-14)32-13-31-18/h2-6,9,11,28H,7-8,10,12-13H2,1H3
PubChem CID	44277130
ChEMBL	CHEMBL283037
IUPHAR	N/A
BindingDB	50089718
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	40000.0 nM	PMID10890162	BindingDB,ChEMBL

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