Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	5-hydroxytryptamine receptor 4
Species	Rattus norvegicus (Rat)
Gene	Htr4
Synonym	5-HT-4 5-HT4 5-HT4 receptor 5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled serotonin receptor 4
Disease	N/A for non-human GPCRs
Length	406
Amino acid sequence	MDRLDANVSSNEGFGSVEKVVLLTFFAMVILMAILGNLLVMVAVCRDRQLRKIKTNYFIVSLAFADLLVSVLVNAFGAIELVQDIWFYGEMFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPMFISFLPIMQGWNNIGIVDVIEKRKFNHNSNSTFCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAQQIQMLQRAGATSESRPQTADQHSTHRMRTETKAAKTLCVIMGCFCFCWAPFFVTNIVDPFIDYTVPEKVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYKRPPILGQTVPCSTTTINGSTHVLRDTVECGGQWESRCHLTATSPLVAAQPVIRRPQDNDLEDSCSLKRSQS
UniProt	Q62758
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	CHEMBL4317
IUPHAR	9
DrugBank	N/A

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	Spectrum_000193 Tryptamine, 5-methoxy- RP17857 DEACETYLMELATONIN 1H-Indole-3-ethanamine, 5-methoxy- FT-0620577 2-(5-Methoxyindol-3-yl)ethylamine 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 SMSF0037571 STK386888 WLN: T56 BMJ D2Z GO1 CAS_66-83-1 SBB002534 CPD000112269 EINECS 210-153-7 2-(5-Methoxy-1H-Indol-3-Yl)Ethan-1-Amine HMS2052G13 3VMW6141KC KB-197912 5-methoxy-tryptamine KSC353A0B 5MOT M14131 AC-15796 Mexamine base ALBB-004965 NCGC00015694-03 BDBM82087 NSC56422 Spectrum4_000602 TRA0100740 ZINC57163 Oprea1_086738 CCG-15123 SCHEMBL41982 D04AQE 08M071 EU-0033500 2-(5-Methoxy-1H-indol-3-yl)ethanamine (5-Methoxytryptamine) 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 ST078854 TS-02682 RTC-071750 CHEMBL8165 DS-1776 1H-Indole-3-ethanamine, 5-methoxy- (9CI) GTPL107 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 SPBio_001242 TC-071750 Z1698584701 CB06924 SC-12097 CS-W015885 EN300-75859 2-(5-Methoxy-1H-indol-3-yl)ethanamine HMS2267B16 4CH-018103 KBio2_000673 5-METHOXYINDOLE-3-ETHANAMINE L000647 608-07-1 MCULE-6141263456 AC1L1CCC MFCD00005662 AM804127 NCGC00015694-04 Biomol-NT_000156 O-Methylserotonin Spectrum5_001300 tryptamine, 5-Methoxy PubChem1928 CHEBI:2089 SMR000112269 DB-053709 F0266-0466 2-(5-Methoxy-1H-indol-3-yl)ethylamine 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 ST2403990 UNII-3VMW6141KC C05659 SAM001246909 CM-025 DTXSID60209638 2-(5-METHOXY-1H-INDOL-3-YL)-ETHYLAMINE HMS1607I12 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 Spectrum2_001111 TL806386 ZERO/005525 CBMicro_004933 SC-18330 CTK2F3000 Ethanamine,2-(5-methoxy-3-indolyl)- 2-(5-Methoxy-1H-indol-3-yl)ethanamine # HMS3394G13 5 Methoxytryptamine KBio2_003241 Lopac-M-6628 Meksamin AC1Q4F1U MLS000515795 AN-41877 NCGC00015694-05 bmse000626 O-Methylserotonin, purum, >=98.0% (NT) [ 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	39.81 nM	PMID9225293	BindingDB
Ki	39.8107 - 501.187 nM	PMID7796807, PMID8813606, PMID9225293	IUPHAR
Ki	112.0 nM	PMID8813606	BindingDB
Ki	123.02 nM	PMID9351641	BindingDB
Ki	316.0 nM	PMID8226867	BindingDB
Ki	316.22 nM	PMID9225293	BindingDB
Ki	398.1 nM	PMID9349523	BindingDB
Ki	401.0 nM	PMID7796807, PMID8813606	BindingDB
Ki	501.18 nM	PMID9225293	BindingDB

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417