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 H1 receptor
Species	Rattus norvegicus (Rat)
Gene	Hrh1
Synonym	H1 receptor H1R HH1R Hisr
Disease	N/A for non-human GPCRs
Length	486
Amino acid sequence	MSFANTSSTFEDKMCEGNRTAMASPQLLPLVVVLSSISLVTVGLNLLVLYAVHSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLIMTKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWFFSFLWVIPILGWHHFMPPAPELREDKCETDFYNVTWFKIMTAIINFYLPTLLMLWFYVKIYKAVRRHCQHRQLTNGSLPSFSELKLRSDDTKEGAKKPGRESPWGVLKRPSRDPSVGLDQKSTSEDPKMTSPTVFSQEGERETRPCFRLDIMQKQSVAEGDVRGSKANDQALSQPKMDEQSLNTCRRISETSEDQTLVDQQSFSRTTDSDTSIEPGPGRVKSRSGSNSGLDYIKITWKRLRSHSRQYVSGLHLNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKSCCSEPMHMFTIWLGYINSTLNPLIYPLCNENFKKTFKKILHIRS
UniProt	P31390
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	CHEMBL4701
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	METIAMIDE
Molecular formula	C9H16N4S2
IUPAC name	1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
Molecular weight	244.375
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	0.5
Synonyms	Metiamida Metiamidum [INN-Latin] N-methyl-N'-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]-thiourea NSC 307755 SCHEMBL11363901 Urea, 1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)-2-thio- BCP21503 CHEMBL275446 GTPL1233 Metiamide (USAN/INN) N-Methyl-N'-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)thiourea N-methyl-N'-[2-((5-methyl-4-imidazolyl)methylthio)ethyl]-thiourea NSC_1548992 1-Methyl-3-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)thiourea SK&F-92058 34839-70-8 AE-641/30115027 C07449 D0W9LJ KB-219225 Metiamide [USAN:INN:BAN] N-methyl-N'-[2-((4-methyl-5-imidazolyl)methylthio)-ethyl]thiourea N-methyl-N'-[2-(5-methylimidazol-4-yl)methylthioethyl] thiourea RL03297 1-Methyl-3-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]thiourea;1-methyl-3-(2-((5-methyl-1H-imidazol-4-yl)methylthio)ethyl)thiourea Thiourea, N-methyl-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]- 4CA-0813 API0007627 CHEBI:6896 DTXSID80188390 MCULE-4285442691 Metiamida [INN-Spanish] MolPort-002-801-395 N-methyl-N'-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]thiourea NSC-307755 SCHEMBL534307 3-Methyl-1-(2-((5-methyl-4-imidazolyl)methylthio)ethyl)thiourea W-5324 AC1LU7MD BDBM50000382 CS-1294 HY-15540 Metiamide HCl N-Methyl-N'-(2-([(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl)ethyl)thiourea # N-methyl-N'-[2-((5-methyl-4-imidazolyl)methylthio)ethyl]thiourea PDSP1_000614 1-Methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)-2-thiourea SKF 92058 3K7670861M AJ-54031 C9H16N4S2 L023988 Metiamidum N-methyl-N'-[2-((4-methyl-5-imidazolyl)methylthio)ethyl] thiourea N-Methyl-N'-[2-[[(5-methylimidazol-4-yl)methyl]thio]ethyl]thiourea SC-94342 1-Methyl-3-[2-[[(5-methylimidazol-4-yl)methyl]thio]ethyl]-2-thiourea UNII-3K7670861M AX8140020 FPBPLBWLMYGIQR-UHFFFAOYSA-N Methiamide MolPort-018-684-840 N-methyl-N'-[2-((5-methyl-4-imidazolyl)-methylthio)ethyl]thiourea NSC307755 SK&F 92058 3-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea ZINC5424950 ACM34839708 BDBM81468 D05004 J-522704 Metiamide [USAN:BAN:INN] N-methyl-N'-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)thiourea N-methyl-N'-[2-(5-methyl-4-imidazolylmethylthio)ethyl]thiourea PDSP2_000611 1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea Thiourea, N-methyl-N'-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)- 4243AB AKOS005065704 CAS_34839-70-8 DB08805 LS-160472 [ Show all ]
Inchi Key	FPBPLBWLMYGIQR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)
PubChem CID	1548992
ChEMBL	CHEMBL275446
IUPHAR	1233
BindingDB	81468, 50000382
DrugBank	DB08805
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID282646	BindingDB

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