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	Histamine H3 receptor
Species	Rattus norvegicus (Rat)
Gene	Hrh3
Synonym	GPCR97 H3 receptor H3R HH3R
Disease	N/A for non-human GPCRs
Length	445
Amino acid sequence	MERAPPDGLMNASGTLAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCASSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMALVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGGREAGPEPPPDAQPSPPPAPPSCWGCWPKGHGEAMPLHRYGVGEAGPGVEAGEAALGGGSGGGAAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSITQRFRLSRDKKVAKSLAIIVSIFGLCWAPYTLLMIIRAACHGRCIPDYWYETSFWLLWANSAVNPVLYPLCHYSFRRAFTKLLCPQKLKVQPHGSLEQCWK
UniProt	Q9QYN8
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	CHEMBL4124
IUPHAR	264
DrugBank	N/A

Ligand

Name	1-Methylhistamine
Molecular formula	C6H11N3
IUPAC name	2-(1-methylimidazol-4-yl)ethanamine
Molecular weight	125.175
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	-0.6
Synonyms	2-(1-methyl-1H-imidazol-4-yl)ethanamine 501-75-7 BDBM50198912 CTK4J2221 GTPL1242 Lopac0_000757 N-tele methylhistamine NCGC00015677-03 PDSP2_000509 2-(1-methylimidazol-4-yl)ethanamine AC1Q3Z1K CCG-204842 DTXSID30198207 Imidazole, 4-(2-aminoethyl)-1-methyl- MolPort-006-803-985 N-[3H]methylhistamine NSC-66736 1-Methyl-4-(.beta.-aminoethyl)imidazole SCHEMBL3826532 1H-IMIDAZOLE, 4-(1-AMINOETHYL)-1-METHYL- 1H-Imidazole-4-ethanamine,1-methyl- 4-(2-Aminoethyl)-1-methylimidazole AKOS006350836 CHEMBL507 FT-0701318 L000842 N(sup 1)-Methylhistamine NCGC00015677-01 Ntau-Methylhistamine 1-Methyl-4-(beta-aminoethyl)imidazole ZINC403051 2-(1-Methyl-1H-imidazol-4-yl)ethylamine BRN 0110757 D0A4XL Histamine, 1-methyl- LS-78032 N-tele-Methylhistamine NCGC00162240-01 1,4-methylhistamine SB15504 4-(1-aminoethyl)-1-methyl-1H-imidazole AC1Q4VOV CHEBI:29009 FHQDWPCFSJMNCT-UHFFFAOYSA-N Imidazole, 4-(2-aminoethyl)-1-methyl- (8CI) N( 1)-Methylhistamine N.tau.-Methylhistamine NSC66736 1-Methyl-4-(2-aminoethyl)imidazole Tele-methylhistamine 1H-Imidazole-4-ethanamine, 1-methyl- 2-(1-methyl-1H-imidazol-4-yl)ethan-1-amine 5-25-09-00527 (Beilstein Handbook Reference) AS-50436 CS-0054396 GTPL1241 Lopac-M-4910 N(tele)-methylhistamine NCGC00015677-02 PDSP1_000511 1-Methyl-4-histamine [2-(1-methyl-1H-imidazol-4-yl)ethyl]amine 2-(1-Methyl-1H-imidazol-4-yl)ethylamine # AC1L1GBQ C05127 D0T6SC HY-W062542 MCULE-7688329107 N-Telle-methylhistamine NSC 66736 1-Methyl-1H-imidazole-4-ethanamine SCHEMBL196356 4-(2-aminoethyl)-1-methyl-Imidazole AF9B9F65-564B-4C50-B4AF-F195114242DE FT-0608087 KCB81T4EOF N(1)-methylhistamine N1-Methylhistamine NT-methylhistamine 1-methyl-4-(b-aminoethyl)imidazole UNII-KCB81T4EOF 1H-Imidazole-4-ethanamine, 1-methyl- (9CI) [ Show all ]
Inchi Key	FHQDWPCFSJMNCT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
PubChem CID	3614
ChEMBL	CHEMBL507
IUPHAR	1241, 1242
BindingDB	50198912
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	0.794328 nM	PMID10869375	IUPHAR
Ki	1.58489 nM	PMID10869375	IUPHAR

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