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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	Homo sapiens (Human)
Gene	EDNRA
Synonym	ET-A ETA-R hET-AR ETA receptor ENDOR endothelin A receptor Endothelin receptor type A {ECO:0000312\|HGNC:HGNC:3179} ET-AR endothelin-1 receptor Gpcr10 [ Show all ]
Disease	Vasospasm following subarachnoid hemorrhage Hormone refractory prostate cancer Hormone resistant prostate cancer Hypertension Hypotension Nerve injury Premature labour Prostate cancer Pulmonary arterial hypertension Pulmonary hypertension Solid tumours Unspecified Heart disease Cerebrovascular disorders Diabetic nephropathy [ Show all ]
Length	427
Amino acid sequence	METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRSSHKDSMN
UniProt	P25101
Protein Data Bank	N/A
GPCR-HGmod model	P25101
3D structure model	This predicted structure model is from GPCR-EXP P25101.
BioLiP	N/A
Therapeutic Target Database	T23499
ChEMBL	CHEMBL252
IUPHAR	219
DrugBank	BE0000521

Ligand

Name	5-Bromo-N,N-dimethyltryptamine
Molecular formula	C12H15BrN2
IUPAC name	2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine
Molecular weight	267.17
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	2.2
Synonyms	5-Bromo-N,N-dimethyl-tryptamine NSC622272 [2-(5-bromo-1H-indol-3-yl)ethyl]-dimethyl-amine 2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine 5-bromo-3-[2-(dimethylamino)ethyl]-1h-indole AC1L7GAC DB-081193 Z-5543 (2-(5-Bromo-1H-indol-3-yl)ethyl)dimethylamine 5-bromo-dimethyltryptamin AMBZ0357 I14-33778 [2-(5-Bromo-1H-indol-3-yl)-ethyl]-dimethylamine 1H-Indole-3-ethanamine,5-bromo-N,N-dimethyl- 2F81I6UW8C CHEMBL403031 SCHEMBL517473 5-Bromo-3-[2-(N,N-dimethylamino)ethyl]-1 H-indole AKOS015909321 DTXSID90326928 ZINC1616757 17274-65-6 5-Bromo-DMT ATEYZYQLBQUZJE-UHFFFAOYSA-N NSC-622272 [2-(5-bromo-1H-indol-3-yl)-ethyl]dimethyl-amine 2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethan-1-amine 3161AJ 5-Bromodimethyltryptamine CTK4D4337 UNII-2F81I6UW8C 5-Bromo-3-[2-(N,N-dimethylamino)ethyl]-1H-indole AM85630 FT-0620166 [2-(5-Bromo-1H-indol-3-yl)-ethyl]-dimethyl-amine 1H-Indole-3-ethanamine, 5-bromo-N,N-dimethyl- [ Show all ]
Inchi Key	ATEYZYQLBQUZJE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H15BrN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3
PubChem CID	360252
ChEMBL	CHEMBL403031
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	89.0 %	PMID19916528	ChEMBL
Activity	97.0 %	PMID19916528	ChEMBL

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