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

Name	5-hydroxytryptamine receptor 1D
Species	Homo sapiens (Human)
Gene	HTR1D
Synonym	Serotonin 1D alpha receptor serotonin receptor 1D HTRL Htr1db 5-HT-1D 5-HT-1D-alpha 5-HT1D 5-HT1D receptor 5-HT1Dalpha 5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled Gpcr14 HT1DA [ Show all ]
Disease	Acute migraine Epilepsy Migraine headaches Mood disorder Migraine Major depressive disorder Severe mood disorders [ Show all ]
Length	377
Amino acid sequence	MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS
UniProt	P28221
Protein Data Bank	N/A
GPCR-HGmod model	P28221
3D structure model	This predicted structure model is from GPCR-EXP P28221.
BioLiP	N/A
Therapeutic Target Database	T11072
ChEMBL	CHEMBL1983
IUPHAR	3
DrugBank	BE0000659

Ligand

Name	dihydroergotamine
Molecular formula	C33H37N5O5
IUPAC name	(6aR,9R,10aR)-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,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight	583.689
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	2.4
Synonyms	EINECS 208-123-3 47842-41-1 Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha,10alpha)- 7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (5-benzyl-10b-hydroxy-2-methyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide KBio2_001537 Agit LS-61979 BSPBio_002209 Morena Neomigran (TN) Spectrum3_000395 Dihidroergotamina [INN-Spanish] Dihydroergotamine (nasal, migraine), Britannia (6aR,9R,10aR)-N-((2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide Diidroergotamina 409-63-2 42124-EP2298764A1 Ergoloid Mesylates (dihydroergotoxine) 511-12-6 GTPL121 9,10-dihydro-ergotamine KBio3_001429 BDBM50295557 MAP 0004 C33H37N5O5 NCGC00017400-06 D.H.E. SBI-0050345.P004 Dergotamine Spectrum_001057 Dihydroergotamine [INN:BAN] 1381-00-6 DivK1c_000592 Tox21_110821 DSSTox_RID_81003 42124-EP2311829A1 Ergont 6190-39-2 (mesylate) Inhaled DHE, Sheffield AB00053458_03 Levadex BRD-K72166146-066-03-9 Migranal CCG-204452 NCGC00017400-10 D0O4CV SPBio_001235 Diergo Tonopres Dihydroergotamine (INN) (2R,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),9,12,14-tetraene-4-carboxamide Dihydroergotoxin 29087-32-9 Verladyn 42124-EP2275420A1 Endophleban 5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman Ergotamine, 9,10-dihydro- 7762-45-0 KBio2_004105 AN-45444 LS-64563 C-23280 Nasal DHE (migraine), Britannia CHEMBL1732 NINDS_000592 DB00320 Spectrum4_000958 Dihydergot Dihydroergotamine methanesulfonate 11019-70-8 Diidroergotamina [DCIT] 42124-EP2298765A1 ErgoloidMesylates (dihydroergotoxine) 511D126 IDI1_000592 9,10-Dihydroergotamine KBioGR_001576 BIDD:GT0120 MAP-0004 CAS-511-12-6 NCGC00017400-07 D.H.E. 45 SCHEMBL44931 DET MS Tempo dyhydroergotamine, Sheffield Dihydroergotamine (inhaled, Tempo), MAP (10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman Dihydroergotaminum 17680-45-4 DSSTox_CID_25614 Tox21_110821_1 DTXSID6045614 436O5HM03C Ergot Alkaloids, Hydrogenated 7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((2R,5S,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide KBio1_000592 AC1L1VEA Lopac0_000357 BRN 5720196 Migranal (TN) CHEBI:4562 Neomigran D0V3ZA Spectrum2_001188 Dihidroergotamina Dihydroergotamine (migraine,Tempo-inhaled/oral), MAP (2R,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),9,12,14-tetraene-4-carboxamide DIHYDROERGOTOXINE 2GM ZINC3978005 42124-EP2280008A2 Ergoloid dihydroergotoxine Ergotonin 9,10-Dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione KBio2_006673 Angionorm LUZRJRNZXALNLM-JGRZULCMSA-N C07798 NCGC00017400-05 Co-Dergocrine Orstanorm Dehydroergotamine Spectrum5_000905 Dihydroergotamin Dihydroergotamine nasal Dirgotarl DSSTox_GSID_45614 42124-EP2311808A1 Ergomimet 5965-22-0 Ikaran 98302-70-6 KBioSS_001537 BRD-K72166146-066-02-1 MAP0004 CC-26812 NCGC00017400-08 D07837 Seglor DHE-45 Tempo Migraine Dihydroergotamine (inhaled/oral, Tempo), Sheffield (2R,4R,7R)-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]-6-methyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene-4-carboxamide Dihydroergotaminum [INN-Latin] 26913-96-2 UNII-436O5HM03C [ Show all ]
Inchi Key	LUZRJRNZXALNLM-JGRZULCMSA-N
Inchi ID	InChI=1S/C33H37N5O5/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/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1
PubChem CID	10531
ChEMBL	CHEMBL1732
IUPHAR	121
BindingDB	50295557
DrugBank	DB00320
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Ki	0.125893 - 0.630958 nM	PMID9605573, PMID8967979, PMID1652050	IUPHAR

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