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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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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	CHEMBL312854
Molecular formula	C28H21ClN2O8
IUPAC name	2-[(6-carboxy-4H-1,3-benzodioxin-8-yl)methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid
Molecular weight	548.932
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	4.7
Synonyms	1-(6-Carboxy-4H-1,3-benzodioxin-8-ylmethyl)-3-phenyl-4-(6-chloro-1,3-benzodioxole-5-ylmethyl)-1H-pyrazole-5-carboxylic acid BDBM50093985 2-(6-Carboxy-4H-benzo[1,3]dioxin-8-ylmethyl)-4-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-5-phenyl-2H-pyrazole-3-carboxylic acid
Inchi Key	CNNRQVOYWFOJPP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H21ClN2O8/c29-21-10-23-22(37-14-38-23)9-16(21)8-20-24(15-4-2-1-3-5-15)30-31(25(20)28(34)35)11-18-6-17(27(32)33)7-19-12-36-13-39-26(18)19/h1-7,9-10H,8,11-14H2,(H,32,33)(H,34,35)
PubChem CID	44320291
ChEMBL	CHEMBL312854
IUPHAR	N/A
BindingDB	50093985
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2.5 nM	PMID11086733	BindingDB,ChEMBL

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