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	Homo sapiens (Human)
Gene	HRH1
Synonym	HH1R H1R Hisr H1 receptor
Disease	Vertigo's disease; Meniere's disease Ocular allergy Obesity Nausea; Vomiting Insomnia; Anxiety disorder Insomnia Hypersensitivity reactions; Coughs; Common colds Pain Parkinson's disease Perennial and seasonal allergic rhinitis; Vasomotor rhinitis; Allergic conjunctivitis Vertigo meniere's disease Unspecified Sleep disorders Seasonal and perennial allergic rhinitis and vasomotor rhinitis Rhinitis; Urticaria; Allergy Rhinitis Respiratory disease Respiratory allergies; Cancer Respiratory allergies; Allergic rhinitis Pruritus Nasal congestion Hay fever; Cough Hay fever; Allergic rhinitis Anxiety disorder Anesthesia Allergy Allergic skin disorders Allergic rhinitis; Urticaria; Pruritus Allergic rhinitis; Urticaria Allergic rhinitis Allergic disorders; Itching; Nausea Allergic conjunctivitis Anxiety disorder; Morning sickness Asthma Hay fever Common cold; Allergies Depression Dry cough [ Show all ]
Length	487
Amino acid sequence	MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS
UniProt	P35367
Protein Data Bank	3rze
GPCR-HGmod model	P35367
3D structure model	This structure is from PDB ID 3rze.
BioLiP	BL0202178, BL0202179, BL0202180
Therapeutic Target Database	T77913
ChEMBL	CHEMBL231
IUPHAR	262
DrugBank	BE0000442

Ligand

Name	METHDILAZINE
Molecular formula	C18H20N2S
IUPAC name	10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine
Molecular weight	296.432
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.2
Synonyms	NCI60_001351 Phenothiazine, 10-[(1-methyl-3-pyrrolidinyl)methyl]- Tacryl 10-[(1-Methylpyrrolidin-3-yl)methyl]phenothiazine AC1Q7G4W D0LR0R EINECS 217-841-6 Methdilazine [USP:INN:BAN] Methilazine hydrochloride NSC244191 SR-01000944494 10-((1-methyl-3-pyrrolidinyl)methyl)-10H-phenothiazine 10H-Phenothiazine, tannate (5:1) C18H20N2S Dilosyn (Salt/Mix) L001130 Metodilazina [INN-Spanish] PDSP2_000148 Tacaryl (TN) 10-[(1-Methyl-3-Pyrrolidinyl)methyl]phenothiazine CHEMBL1200959 Disyncran (Salt/Mix) Methdilazine (INN) Methdilazinum NSC-244191 Product 5022 10H-Phenothiazine, 10-((1-methyl-3-pyrrolidinyl)methyl)- BDBM81470 GTPL7231 Methodilazine NSC_14677 SR-01000944494-1 10-((1-Methyl-3-pyrrolidinyl)methyl)phenothiazine 1229-35-2 (hydrochloride) CAS_14677 Disyncram LS-979 NCI-C60720 Phenothiazine, 10-((1-methyl-3-pyrrolidinyl)methyl)- Tacazyl 10-[(1-methylpyrrolidin-3-yl)methyl]-10H-phenothiazine AC1L24C6 D04979 DTXSID6023282 Methdilazine [USAN:INN:BAN] Methdilazinum [INN-Latin] NSC169091 SCHEMBL121507 10H-Phenothiazine, 10-[(1-methyl-3-pyrrolidinyl)methyl]- C07175 DB00902 HTMIBDQKFHUPSX-UHFFFAOYSA-N Metodilazina PDSP1_000149 Tacaryl 10-[(1-Methyl-3-pyrrolidinyl)methyl]-10H-phenothiazine # 1982-37-2 CHEBI:6823 Disyncram (Salt/Mix) [ Show all ]
Inchi Key	HTMIBDQKFHUPSX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3
PubChem CID	14677
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81470
DrugBank	DB00902
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank

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