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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	Sus scrofa (Pig)
Gene	EDNRA
Synonym	Endothelin receptor type A {ECO:0000250\|UniProtKB:P25101} ET-A ET-AR
Disease	N/A for non-human GPCRs
Length	427
Amino acid sequence	METFCFRVSFWVALLGCVISDNPESHSTNLSTHVDDFTTFRGTEFSLVVTTHRPTNLALPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFENHDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEEHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHEQNNHNTERSSHKDSIN
UniProt	Q29010
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	CHEMBL4130
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL113757
Molecular formula	C28H31N5O5S
IUPAC name	4-tert-butyl-N-[6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide
Molecular weight	549.646
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	5.3
Synonyms	BDBM50105034 N-[5-(4-Methylphenyl)-6-[2-(5-methoxy-2-pyrimidinyloxy)ethoxy]-4-pyrimidinyl]-4-tert-butylbenzenesulfonamide 4-tert-Butyl-N-{6-[2-(5-methoxy-pyrimidin-2-yloxy)-ethoxy]-5-p-tolyl-pyrimidin-4-yl}-benzenesulfonamide
Inchi Key	AFDNMXWXTQCYFD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H31N5O5S/c1-19-6-8-20(9-7-19)24-25(33-39(34,35)23-12-10-21(11-13-23)28(2,3)4)31-18-32-26(24)37-14-15-38-27-29-16-22(36-5)17-30-27/h6-13,16-18H,14-15H2,1-5H3,(H,31,32,33)
PubChem CID	10886132
ChEMBL	CHEMBL113757
IUPHAR	N/A
BindingDB	50105034
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.0017 nM	PMID11585441	BindingDB,ChEMBL

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