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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	CHEMBL3144803
Molecular formula	C19H15Cl2F3N2O2
IUPAC name	4-[(3,4-dichlorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Molecular weight	431.236
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.5
Synonyms	BDBM50089717 CHEMBL432456 4-(3,4-Dichloro-benzyl)-2-(3-methoxy-benzyl)-5-trifluoromethyl-2H-pyrazol-3-ol SCHEMBL9056865 1-(3-Methoxybenzyl)-3-(trifluoromethyl)-4-(3,4-dichlorobenzyl)-1H-pyrazole-5-ol
Inchi Key	FTLFNXVHQDKHKE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15Cl2F3N2O2/c1-28-13-4-2-3-12(7-13)10-26-18(27)14(17(25-26)19(22,23)24)8-11-5-6-15(20)16(21)9-11/h2-7,9,25H,8,10H2,1H3
PubChem CID	44276947
ChEMBL	CHEMBL3144803
IUPHAR	N/A
BindingDB	50089717
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	10000.0 nM	PMID10890162	BindingDB,ChEMBL

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