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GPCR

Name	5-hydroxytryptamine receptor 5A
Species	Rattus norvegicus (Rat)
Gene	Htr5a
Synonym	5-HT5A receptor REC17 MR22 Htr5 5-HT-5A 5HT5- 5-HT5A 5-hydroxytryptamine (serotonin) receptor 5A, G protein-coupled 5-HT5alpha serotonin receptor 5A [ Show all ]
Disease	N/A for non-human GPCRs
Length	357
Amino acid sequence	MDLPINLTSFSLSTPSTLEPNRSLDTEALRTSQSFLSAFRVLVLTLLGFLAAATFTWNLLVLATILRVRTFHRVPHNLVASMAISDVLVAVLVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHLEYTLRARKRVSNVMILLTWALSAVISLAPLLFGWGETYSELSEECQVSREPSYTVFSTVGAFYLPLCVVLFVYWKIYKAAKFRMGSRKTNSVSPIPEAVEVKDASQHPQMVFTVRHATVTFQTEGDTWREQKEQRAALMVGILIGVFVLCWFPFFVTELISPLCSWDIPALWKSIFLWLGYSNSFFNPLIYTAFNRSYSSAFKVFFSKQQ
UniProt	P35364
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	CHEMBL4655
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	Secupan BRN 0078890 D07906 Ergomar (TN) Ergotamin ergotamine tartrate Ergotartrate Gynergen Migretamine (5'alpha)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione 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 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 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 Gotamine tartrate LS-564 (5''alpha)-5''-benzyl-12''-hydroxy-2''-methyl-3'',6'',18-trioxoergotaman (5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman Temigran 6915-20-4 C33H35N5O5 Ergonsvine Ergotamina Ergotamine tartrate (VAN) Ergoton-A 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 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 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 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] GTPL149 Medihaler ergotamine (5'A)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman 2,3-dihydroxybutanedioate(2:1) 1080650-16-3 TX-012337 98260-30-1 CHEBI:64318 DB00696 Ergostat Ergotamina [INN-Spanish] Ergotamine tartrate, Avetol, Cornutamin, Ergam, Ergotartrate ERM HSDB 4076 Neo-ergotin 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 Lingran (5''alpha)-12''-hydroxy-2''-methyl-5''-(phenylmethyl)ergotoman-3'',6'',18-trione [ 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	6.3 nM	PMID7984267	BindingDB
Ki	6.30957 nM	PMID7682702	IUPHAR
Ki	15.7 nM	PMID7682702	BindingDB

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