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 1A
Species	Homo sapiens (Human)
Gene	HTR1A
Synonym	5-HT-1A 5-HT1A serotonin receptor 1A 5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Gpcr18 ADRB2RL1 ADRBRL1 G-21 [ Show all ]
Disease	Urinary incontinence Generalized anxiety disorder Generalized anxiety disorder; Social phobia Hypertension Hypoactive sexual desire disorder Major depressive disorder Major depressive disorder; Episode; Anxiety Migraine Mood disorder Pain Parkinson's disease Premature ejaculation Psychiatric disorder Psychotic disorders Schizoaffective disorder; Schizophrenia Severe mood disorders Unspecified Female sexual dysfunction Eating disorder Schizophrenia Alzheimer disease Alzheimer disease; Peripheral sensory neuropathies; Lateral sclerosis Bulimia nervosa; Severe mood disorders Cervical dystonia; Spasm Cognitive disorders Anxiety disorder Depression Coronary artery disease [ Show all ]
Length	422
Amino acid sequence	MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
UniProt	P08908
Protein Data Bank	N/A
GPCR-HGmod model	P08908
3D structure model	This predicted structure model is from GPCR-EXP P08908.
BioLiP	N/A
Therapeutic Target Database	T78709
ChEMBL	CHEMBL214
IUPHAR	1
DrugBank	BE0000291

Ligand

Name	N-Methyltryptamine
Molecular formula	C11H14N2
IUPAC name	2-(1H-indol-3-yl)-N-methylethanamine
Molecular weight	174.247
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	2.1
Synonyms	Dipterine Hydrochloride HMS3372P09 MCULE-1530991027 N-Methylindoleethylamine N-omega-Methyltryptamine, free base 1H-Indole-3-ethanamine, N-methyl- NCGC00018120-03 3-(2-(Methylamino)ethyl)indole ST24039082 5-22-10-00047 (Beilstein Handbook Reference) AKOS005203036 CCG-56495 CHEMBL348588 EINECS 200-507-9 InChI=1/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H MolPort-001-784-409 N-Monomethyltryptamine N10-Methyltryptamine 2-(1H-indol-3-yl)-N-methyl-ethanamine N\|O-Methyltryptamine Hydrochloride 3-(2-Methylaminoethyl)indole Hydrochloride VI30185 9227AB BC220665 DB-053906 HMS1440G10 LS-83251 N-Methyl-1H-indole-3-ethanamine Hydrochloride N-Omega-Methyltryptamine(NMT) 061M494 NCGC00018120-01 2-(1H-indol-3-yl)ethyl-methyl-amine SMR000059062 [2-(1H-Indol-3-yl)ethyl]methylamine AC1L1LS0 BRN 0134134 dl-Methyltryptamine I05-3075 Methyltryptamine N-\|O-Methyltryptamine 1HU NCIKQJBVUNUXLW-UHFFFAOYSA-N 3-(2-methylaminoethyl)-indole ST50307997 61-49-4 AM20040845 CHEBI:28136 cid_6088 F1909-1620 INDOLE, 3-(2-(METHYLAMINO)ETHYL)- N(omega)-methyltryptamine N-Monomethyltryptamine Hydrochloride N10-Methyltryptamine Hydrochloride 2-(1H-Indol-3-yl)-N-methylethanamine Oprea1_433490 3-(2-[Methylamino]ethyl)indole ZINC1995685 942-27-8 BDBM30701 Dipterine HMS2235A08 Maybridge3_003310 N-methyl-tryptamine N-omega-Methyltryptamine, 99% 1-Methyl-2-(3-indolyl)ethylamine NCGC00018120-02 2-(Indol-3-yl)-N-methylethanamine SR-01000000029-2 4CH-024507 [2-(1H-Indol-3-yl)ethyl]methylamine Hydrochloride AJ-32297 C06213 DTXSID70209846 IDI1_014697 MLS000069493 N-Methyltryptamine Hydrochloride N.omega.-methyltryptamine 2-(1H-indol-3-yl)-ethyl-methyl-amine Nw-Methyltryptamine 3-(2-Methylaminoethyl)indole UNII-6FRL4L3Z7V 6FRL4L3Z7V AN-41826 CTK6I5578 FT-0631273 KB-26663 N-methyl-1H-indole-3-ethanamine N-OMEGA-METHYLTRYPTAMINE (2-Indol-3-ylethyl)methylamine Nb-Methyltryptamine Hydrochloride 2-(1H-Indol-3-yl)-N-methylethanamine Hydrochloride SCHEMBL379409 3-(N-Methyl-2-amino-ethyl)-indole [2-(1H-indol-3-yl)ethyl](methyl)amine 942-27-8 (hydrochloride) BIDD:GT0662 [ Show all ]
Inchi Key	NCIKQJBVUNUXLW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
PubChem CID	6088
ChEMBL	CHEMBL348588
IUPHAR	N/A
BindingDB	30701
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	5100.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
EC50	99000.0 nM	N/A	BindingDB

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