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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	5-hydroxytryptamine receptor 2A
Species	Macaca mulatta (Rhesus macaque)
Gene	HTR2A
Synonym	5-HT-2 5-HT-2A Serotonin receptor 2A
Disease	N/A for non-human GPCRs
Length	471
Amino acid sequence	MDILCEENTSLSSTTNSLMQLNEDTRLYSNDFNSGEANTSDAFNWTVESENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHRDPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEDASKDNSDGVNEKVSCV
UniProt	P50128
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	CHEMBL3309041
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Ergoatetrine
Molecular formula	C19H23N3O2
IUPAC name	N-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight	325.412
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	1.8
Synonyms	9,10-Didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methylergoline-8-.alpha.-carboxamide BRD-A73581086-001-01-3 Ergoline-8-.beta.-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl- NCGC00163165-01 9-(2-Hydroxy-1-methylethylcarbamoyl)-4,6,6a,7,8,9-hexahydro-7-methylindolo[4,3-fg]quinoline Cornocentin (Salt/Mix) Ermetrine (Salt/Mix) PDSP1_001743 Biomol-NT_000067 N-(1-(Hydroxymethyl)ethyl)-D-lysergomide 9,10-Didehydro-N-(.alpha.-(hydroxymethyl)ethyl)-6-methylergoline-8-.beta.-carboxamide CHEBI:91849 Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-, [8.beta.(S)]- NSC_104873 AC1L1FIH Crude ergot (Salt/Mix) L000683 PDSP2_001726 BPBio1_001359 Ergoline-8-.alpha.-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl- N-(2-Hydroxy-1-methylethyl)-6-methyl-9,10-didehydroergoline-8.beta.(S)-carboxamide # 9,10-Didehydro-N-[(S)-2-hydroxy-1-methylethyl]-6-methylergoline-8.beta.-carboxamide CHEMBL1368134 Ergotrate (Salt/Mix) Oprea1_121118 BDBM81446 D-Lysergic acid-L,2-propanolamide N-(.alpha.-(Hydroxymethyl)ethyl)-D-lysergomide WVVSZNPYNCNODU-UHFFFAOYSA-N [ Show all ]
Inchi Key	WVVSZNPYNCNODU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)
PubChem CID	3250
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81446
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3.4 nM	PMID8510008	BindingDB

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