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GLASS

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

Name	5-hydroxytryptamine receptor 1F
Species	Homo sapiens (Human)
Gene	HTR1F
Synonym	5-hydroxytryptamine (serotonin) receptor 1F, G protein-coupled serotonin receptor 1F 5-HT-1F 5-HT1Ebeta HTR1EL 5-HT1F 5-HT1F receptor 5-HT6 [ Show all ]
Disease	Migraine
Length	366
Amino acid sequence	MDFLNSSDQNLTSEELLNRMPSKILVSLTLSGLALMTTTINSLVIAAIIVTRKLHHPANYLICSLAVTDFLVAVLVMPFSIVYIVRESWIMGQVVCDIWLSVDITCCTCSILHLSAIALDRYRAITDAVEYARKRTPKHAGIMITIVWIISVFISMPPLFWRHQGTSRDDECIIKHDHIVSTIYSTFGAFYIPLALILILYYKIYRAAKTLYHKRQASRIAKEEVNGQVLLESGEKSTKSVSTSYVLEKSLSDPSTDFDKIHSTVRSLRSEFKHEKSWRRQKISGTRERKAATTLGLILGAFVICWLPFFVKELVVNVCDKCKISEEMSNFLAWLGYLNSLINPLIYTIFNEDFKKAFQKLVRCRC
UniProt	P30939
Protein Data Bank	N/A
GPCR-HGmod model	P30939
3D structure model	This predicted structure model is from GPCR-EXP P30939.
BioLiP	N/A
Therapeutic Target Database	T78656
ChEMBL	CHEMBL1805
IUPHAR	5
DrugBank	BE0000460, BE0004958

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	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 2901782C-4651-419E-81A0-8179F6F3AA3E Tryptamine, 5-methoxy- Spectrum_000193 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 STK386888 WLN: T56 BMJ D2Z GO1 SMSF0037571 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 TRA0100740 ZINC57163 Spectrum4_000602 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 TS-02682 ST078854 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 # HMS3394G13 TC-071750 Z1698584701 SPBio_001242 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 tryptamine, 5-Methoxy Spectrum5_001300 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 ST2403990 UNII-3VMW6141KC 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) TL806386 ZERO/005525 Spectrum2_001111 [ 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	1166.0 nM	PMID8380639	PDSP,BindingDB
Ki	1258.93 nM	PMID8380639	IUPHAR

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