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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 5A
Species	Mus musculus (Mouse)
Gene	Htr5a
Synonym	MR22 Htr5 5HT5- 5-hydroxytryptamine (serotonin) receptor 5A, G protein-coupled 5-HT5alpha 5-HT5A receptor 5-HT5A 5-HT-5A 5-HT-5 Serotonin receptor 5A [ Show all ]
Disease	N/A for non-human GPCRs
Length	357
Amino acid sequence	MDLPVNLTSFSLSTPSSLEPNRSLDTEVLRPSRPFLSAFRVLVLTLLGFLAAATFTWNLLVLATILKVRTFHRVPHNLVASMAISDVLVAVLVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHLEYTLRTRKRVSNVMILLTWALSTVISLAPLLFGWGETYSEPSEECQVSREPSYTVFSTVGAFYLPLCVVLFVYWKIYRAAKFRMGSRKTNSVSPVPEAVEVKNATQHPQMVFTVRHATVTFQTEGDTWREQKEQRAALMVGILIGVFVLCWFPFFVTELISPLCSWDVPAIWKSIFLWLGYSNSFFNPLIYTAFNRSYSSAFKVFFSKQQ
UniProt	P30966
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	CHEMBL3597
IUPHAR	10
DrugBank	N/A

Ligand

Name	ERGOTAMINE
Molecular formula	C33H35N5O5
IUPAC name	(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight	581.673
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	2.0
Synonyms	GTPL149 Medihaler ergotamine (5'A)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman 2,3-dihydroxybutanedioate(2:1) Secagyn 379-79-3 (2:1 tartrate salt) BDBM50027065 D01TSI Ergomar Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) Ergotamine hemitartrate Ergotaminum [INN-Latin] HSDB 4076 Neo-ergotin 1080650-16-3 TX-012337 98260-30-1 CHEBI:64318 DB00696 Ergostat Ergotamina [INN-Spanish] Ergotamine tartrate, Avetol, Cornutamin, Ergam, Ergotartrate ERM Lingran (5''alpha)-12''-hydroxy-2''-methyl-5''-(phenylmethyl)ergotoman-3'',6'',18-trione Rigetamin 12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione ZINC52955754 AKOS015896505 Cornutamin Ergam Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)- ERGOTAMINE (SEE ALSO: ERGOTAMINE TARTRATE (CAS 379-79-3)) Ergotamine, tartrate (2:1) (salt) (8CI) Femergin Gynergen Migretamine (5'alpha)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione Secupan BRN 0078890 D07906 Ergomar (TN) Ergotamin ergotamine tartrate Ergotartrate I06-2464 (4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0;{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0;{2,7}.0;{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide NSC 95090 113-15-5 UNII-PR834Q503T AB01275473-01 DTXSID9043774 Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'-alpha)- Ergotamine [INN:BAN] ETIN Gotamine tartrate LS-564 (5''alpha)-5''-benzyl-12''-hydroxy-2''-methyl-3'',6'',18-trioxoergotaman SCHEMBL1483 Avetol Cornutamine Ergate Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt) Ergotamine bitartrate ergotaminum HMS2089H22 N-[(2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxo-8,9,10,10a-tetrahydro-5H-oxazolo[[?]]pyrrolo[[?]]pyrazin-2-yl]-methyl-[?]carboxamide (5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman Temigran 6915-20-4 C33H35N5O5 Ergonsvine Ergotamina Ergotamine tartrate (VAN) Ergoton-A Lingraine (4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide PR834Q503T 12''-hydroxy-2''-methyl-5''alpha-(phenylmethyl)ergotaman-3'',6'',18-trione Wigrettes AC1L1QJJ CHEMBL442 EINECS 204-023-9 Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'-alpha)-(9CI) Ergotamine (INN) Ergotamine, tartrate (2:1) Exmigra [ Show all ]
Inchi Key	XCGSFFUVFURLIX-VFGNJEKYSA-N
Inchi ID	InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
PubChem CID	8223
ChEMBL	CHEMBL442
IUPHAR	149
BindingDB	50027065
DrugBank	DB00696
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3.98 nM	PMID7984267, PMID1464308, PMID8450829	BindingDB
Ki	3.98107 - 39.8107 nM	PMID8450829, PMID11343685, PMID8549774	IUPHAR
Ki	6.3 nM	PMID7984267	BindingDB
Ki	38.0 nM	PMID8549774	BindingDB

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