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GLASS

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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	5-METHOXYTRYPTAMINE
Molecular formula	C11H14N2O
IUPAC name	2-(5-methoxy-1H-indol-3-yl)ethanamine
Molecular weight	190.246
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	0.5
Synonyms	4CH-018103 KBio2_000673 5-METHOXYINDOLE-3-ETHANAMINE L000647 608-07-1 MCULE-6141263456 AC1L1CCC MFCD00005662 AM804127 NCGC00015694-04 Biomol-NT_000156 O-Methylserotonin CB06924 SC-12097 CS-W015885 EN300-75859 2-(5-Methoxy-1H-indol-3-yl)ethanamine HMS2267B16 Spectrum5_001300 tryptamine, 5-Methoxy IND055 5-MeOT KBioGR_001124 5-Methoxytryptamine, 97% LS-82282 A8462 Melatonin Related Compound A ACMC-209mm8 MolPort-000-004-525 ANW-33582 NCGC00162256-02 BRD-K30197592-001-01-5 PubChem1928 CHEBI:2089 SMR000112269 DB-053709 F0266-0466 2-(5-Methoxy-1H-indol-3-yl)ethylamine ST2403990 UNII-3VMW6141KC 3-(2-Aminoethyl)-5-methoxyindole JTEJPPKMYBDEMY-UHFFFAOYSA-N 5-methoxy-3-(2-aminoethyl)indole KS-000048KA 5-MT M0131 AB1005675 Mexamine AKOS000265074 NCGC00015694-02 BBL010667 NSC-56422 C05659 SAM001246909 CM-025 DTXSID60209638 2-(5-METHOXY-1H-INDOL-3-YL)-ETHYLAMINE HMS1607I12 ZERO/005525 Spectrum2_001111 TL806386 HMS3394G13 5 Methoxytryptamine KBio2_003241 Lopac-M-6628 Meksamin AC1Q4F1U MLS000515795 AN-41877 NCGC00015694-05 bmse000626 O-Methylserotonin, purum, >=98.0% (NT) CBMicro_004933 SC-18330 CTK2F3000 Ethanamine,2-(5-methoxy-3-indolyl)- 2-(5-Methoxy-1H-indol-3-yl)ethanamine # Spectrum_000193 Tryptamine, 5-methoxy- INDOLE, 3-(2-AMINOETHYL)-5-METHOXY- 5-Methoxy tryptamine KBioSS_000673 5-Methoxytryptamine, free base LS20673 AB0008526 Melatonin Related Compound A, United States Pharmacopeia (USP) Reference Standard ACT02753 NC00364 ARONIS27067 NCGC00162256-03 BRD-K30197592-003-02-9 RP17857 DEACETYLMELATONIN 1H-Indole-3-ethanamine, 5-methoxy- FT-0620577 2-(5-Methoxyindol-3-yl)ethylamine WLN: T56 BMJ D2Z GO1 SMSF0037571 STK386888 3VMW6141KC KB-197912 5-methoxy-tryptamine KSC353A0B 5MOT M14131 AC-15796 Mexamine base ALBB-004965 NCGC00015694-03 BDBM82087 NSC56422 CAS_66-83-1 SBB002534 CPD000112269 EINECS 210-153-7 2-(5-Methoxy-1H-Indol-3-Yl)Ethan-1-Amine HMS2052G13 ZINC57163 Spectrum4_000602 TRA0100740 I05-0057 5-22-12-00018 (Beilstein Handbook Reference) KBio2_005809 5-Methoxytryptamine (5-MT) Lopac0_000789 A3347/0142106 Meksamin (free base) AC1Q56M4 MLS001424170 AN-46395 NCGC00162256-01 BPBio1_000530 Oprea1_086738 CCG-15123 SCHEMBL41982 D04AQE 08M071 EU-0033500 2-(5-Methoxy-1H-indol-3-yl)ethanamine (5-Methoxytryptamine) ST078854 TS-02682 2901782C-4651-419E-81A0-8179F6F3AA3E J10473 5-methoxy-1H-indole-3-ethanamine KS-00000NGV 5-Mot M-2402 AB00463 Methoxytryptamine AJ-09618 NCGC00015694-01 BB 0253965 NSC 56422 BRN 0145587 RTC-071750 CHEMBL8165 DS-1776 1H-Indole-3-ethanamine, 5-methoxy- (9CI) GTPL107 Z1698584701 SPBio_001242 TC-071750 [ Show all ]
Inchi Key	JTEJPPKMYBDEMY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
PubChem CID	1833
ChEMBL	CHEMBL8165
IUPHAR	107
BindingDB	82087
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	1.7 nM	PMID9303569	PDSP,BindingDB
Ki	1.99526 - 39.8107 nM	PMID1565658, PMID8967979, PMID1652050	IUPHAR
Ki	2.18 nM	PMID7984267	PDSP,BindingDB
Ki	2.2 nM	PMID1652050	PDSP,BindingDB
Ki	4.1 nM	PMID8568822	BindingDB,ChEMBL
Ki	4.78 nM	PMID7984267	PDSP,BindingDB
Ki	5.4 nM	PMID8568822	BindingDB,ChEMBL
Ki	6.17 nM	Waeber et al., PMID1988	PDSP
Ki	7.3 nM	Peroutka et al., PMID1989	PDSP
Ki	34.0 nM	PMID1565658	PDSP,BindingDB
Selectivity	1.5 -	PMID8568822	ChEMBL

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