●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
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| 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 [ Show all ]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 |
| 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 |
| Name | cimetidine |
|---|---|
| Molecular formula | C10H16N6S |
| IUPAC name | 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine |
| Molecular weight | 252.34 |
| Hydrogen bond acceptor | 4 |
| Hydrogen bond donor | 3 |
| XlogP | 0.4 |
| Synonyms | BPBio1_000101 SPBio_000884 C 4522 SR-01000075260-1 (E)-2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine Cedine [ Show all ]ST50411770 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine Cime Tagamet HB200 (TN) 2-cyano-1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Cimetidine (JP15/USP/INN) Tox21_110106_1 4-(((2-(((cyanoamino)(methylamino)methylene)amino)ethyl)thio)methyl)-5-methyl-1H-imidazole Cimetidine Hcl Ulcofalk 943920-67-0 Cimetidinum UPCMLD-DP029 AC-8100 Zita AKOS015900557 DuraH2 ANW-46065 SCHEMBL1094 EX-A1088 N-cyano-N'-methyl-N"-[2-{(5-methyl-1H-imidazol-4-yl)methylthio}ethyl]guanidine HMS2232F16 N-Cyano-N'-methyl-N''-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]guanidine HSDB 3917 N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''''''''''-cyano-guanidine(Cimetidine) KBio2_003543 NCGC00015240-02 L013434 NCGC00024859-03 Magicul NCGC00091439-07 MLS002154178 NINDS_000166 N"-cyano-N-methyl-N'-[2-(5-methylimidazol-4-ylmethylthio)ethyl]guanidine Peptol N''-cyano-N-methyl-N'-(2-((5-methyl-1h-imidazol-4-yl)-methylthio)ethyl)guanidine N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)-methylthio)ethyl]guanidine Guanidine, N-cyano-N'-Methyl-N''-[2-[[(5-Methyl-1H-iMidazol-4-yl)Methyl]thio]ethyl]-, (Z)- Galenamet BRD-K34157611-001-07-9 Spectrum3_001389 CCG-204388 SR-05000001434-1 1-Cyan-2-methyl-3-(2-{[(5-methylimidazol-4-yl)methyl]thio}ethyl)guanidin Tagamet Cimetag TC-134810 2-methylamino-2-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethylamino]-(Z)-1-imino cyanide(cimetidine) Cimetidine 1.0 mg/ml in Methanol Tratul Cimetidine, A Type Ulcometin AB00052157_04 Cimetum US9144538, Cimetidine Acibilin DRG-0150 AKOS016340377 SAM002554892 EINECS 257-232-2 BDBM181119 SK&F-92334 Histodil N-Cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine HMS3267A03 N-Cyano-N'-methyl-[2-[[[5-methyl-1H-imidazol-4-yl]methyl]thio]ethyl]guanidine IDI1_000166 N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine (cimetidine) KBioGR_001323 NCGC00015240-05 LP00293 NCGC00091439-01 Metracin NCGC00258712-01 MolPort-003-895-998 NSC-757428 N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine Prestwick3_000026 N''-Cyano-N-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine Guanidine, N''-cyano-N-methyl-N'-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)- N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]guanidine BDBM50403559 SKF-92334; Tagamet GTPL1231 BSPBio_000091 Spectrum_000495 (Cimetidine)N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanomethyliminomethanediamine CCG-40160 SR-05000001750-1 1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine Cimagen Tagamet HB (TN) 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine Cimetidina [INN-Spanish] Topcare heartburn relief 3-cyano-1-methyl-2-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine Cimetidine for peak identification, European Pharmacopoeia (EP) Reference Standard Ulcestop 76181-71-0 Cimetidine, United States Pharmacopeia (USP) Reference Standard Ultek AB03708 D00295 Z1259192068 AJ-70318 DSSTox_RID_75517 Altramet SC-15209 Eureceptor N-cyano-N'-methyl-N"-[2-((5-methyl-4-imidazolyl)methylthio)ethyl]guanidine HMS2092I14 N-cyano-N'-methyl-N''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine HMS3712E13 N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-cyanoguanidine(cimetidine) KBio1_000166 NC00501 L000186 NCGC00024859-01 LS-73446 NCGC00091439-04 MLS001148596 Neutromed MolPort-020-313-426 Opera_ID_314 N''''''''''''''''-cyano-N-methyl-N''''''''-({[(5-methyl-1H-imidazol-4-yl)methyl]thio}methyl)guanidine(cimetidine) N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl) methylthio)ethyl]guanidine Guanidine, N-cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)- FPF 1002 BRD-K18618618-001-01-6 SPECTRUM1500684 C06952 SR-01000075260-3 (Z)-1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine cemitidine STK528249 1-Cyano-2-methyl-3-[2-[[(5-methylimidazol-4-yl)methyl]thio]ethyl]guanidine Cimeldine Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil, Cimetidine 2-Methyl-8-phenethyl-imidazo[1,2-a]pyridine-3-carboxylic acid methyl ester(cimetidine) Cimetidine (JP17/USP/INN) Tox21_201160 481C619 Cimetidine [USAN:INN:BAN:JAN] Ulcomedina A828616 Cimetidinum [INN-Latin] UPCMLD-DP029:001 AC1L1EE8 DB00501 {(1E)-1-(methylamino)-4-[(4-methylimidazol-5-yl)methylthio]-2-azabut-1-enyl}am inocarbonitrile AKOS015951369 Q-200856 Dyspamet AQIXAKUUQRKLND-UHFFFAOYSA-N SCHEMBL11282982 N-Cyano-N'-methyl-N''-(2-(((5-methyl-1 H-imidazol-4-yl) methyl)thio)ethyl)guanidine HMS3259M15 N-cyano-N'-methyl-N''-[2-[[(5-methylimidazol-4-yl]methyl]thio]ethyl)guanidine HY-14289 N-methyl-N'-{2-[(5-methylimidazol-4-yl)-methylthio]-ethyl}-N"-cyanoguanidine KBio2_006111 NCGC00015240-03 Lopac-C-4522 NCGC00024859-04 MCULE-2885245608 NCGC00185989-01 MolPort-001-838-193 NSC 335308 N''''''''''''''''''''''''''''''''-cyano-N-methyl-N''''''''''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine Pharmakon1600-01500684 N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)methyl-thio)ethyl]guanidine Guanidine, N-cyano-N'-methyl-N''-[2-[[5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]- Gastrobitan Brumetadina Spectrum4_000812 (Cimetidine) N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine,cyanide CCG-220026 SR-05000001434-2 1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine CHEMBL30 Tagamet (TN) 2-Chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-benzenesulfonamide(Cimetidine) Cimetidin TL8003410 CIMETIDINE A Ulcedin Cimetidine, European Pharmacopoeia (EP) Reference Standard Ulcostad AB00052157_05 CPD001370748 Valmagen Acinil DSSTox_CID_329 AKOS026749950 SBB057794 Equaline acid reducer BDBM22889 SKF 92334 HMS1921C14 N-cyano-N'-methyl-N''-(2-([(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl)ethyl)guanidine HMS3369L10 N-cyanomethyl-N''''''''-methyl-N''''''''''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine ( Cimetidine) J10340 N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]imino(-N-cyano)methanediaminem KBioSS_000975 NCGC00015240-06 LS-7278 NCGC00091439-02 MFCD00133296 NCGC00260978-01 MolPort-016-638-396 NSC335308 N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine (Cimetidine) Prestwick_65 N-Cyano-N''''''''-methyl-N''''''''''''''''-(2-(((5-methyl-1H-imidazol-4-yl) methyl)thio)ethyl)guanidine(Cimetidine) Guanidine, N''-cyano-N-methyl-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]- N-cyano-N'-methyl-N"-[2-((5-methyl-4-imidazolyl)methylthio)-ethyl]guanidine Biomet400 SMR000038895 BSPBio_002978 SR-01000075260 (E)-2-cyano-1-methyl-3-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine CCRIS 3247 ST24048532 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Cimal Tagamet Hb 200 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine Tox21_110106 3-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Cimetidine for system suitability, European Pharmacopoeia (EP) Reference Standard Ulcimet 80061L1WGD Cimetidine,(S) UNII-80061L1WGD AB1009523 D02DPA ZINC18115268 AKOS005460997 DTXSID4020329 AN-8331 SCHEMBL1093 Evicer N-cyano-N'-methyl-N"-[2-(5-methyl-4-imidazolylmethylthio)ethyl]guanidine HMS2095E13 N-Cyano-N'-methyl-N''-[2-[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]guanidine HMS500I08 N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''''''''''-Cyano-guanidine KBio2_000975 NCGC00015240-01 L003827 NCGC00024859-02 M-1577 NCGC00091439-05 MLS002153265 Neutronorm N"-cyano-N-methyl-N'-[2-(5-methylimidazol-4-ylmethylthio)ethyl]-guanidine Peptimax N''-cyano-N-methyl-N'-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)-ethyl)guanidine N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)- methylthio)ethyl]guanidine Guanidine, N-cyano-N'-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]- FT-0602955 BRD-K34157611-001-04-6 Spectrum2_000782 C10H16N6S SR-05000001434 CHEBI:3699 SW196380-2 1-Ethyl-2,3-dimethylimidazolium tosylate, 98% [EDiMIM] [TOS] Cimetadine Tametin 2-methylamino-2-[2-(4-methyl-1H-5-imidazolylmethylsulfanyl)ethylamino]-(E)-1-imino cyanide Cimetidine (Tagamet) Tox21_500293 4H -Dithieno[3,2-b :2',3'-d ]pyrrole, 4-(1-octylnonyl)- Cimetidine [USAN:USP:INN:BAN:JAN] Ulcomet AB00052157-03 Cimetimax US9138393, Cimetidine AC1Q3XK6 DivK1c_000166 AKOS016003398 s1845 Edalene Azucimet Sigmetadine H505 N-Cyano-N'-Methyl-N''-(2-(((5-Methyl-1H-Imidazol-4-YL)Methyl)Thio)Ethyl) Guanidine HMS3260L08 N-cyano-N'-methyl-N-"-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]guanidine I14-0371 N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]-1-cyanoiminomethanediamine KBio3_002198 NCGC00015240-04 Lopac0_000293 NCGC00024859-05 metidine NCGC00188961-01 MolPort-002-542-886 NSC-335308 N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]-lambda~4~-sulfanyl}ethyl)guanidine Phimetin N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)methylthio)ethyl) guanidine SKF-92334 Gastromet Brumetidina Spectrum5_001541 (cimetidine) N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine CCG-221597 SR-05000001750 1-cyano-2-methyl-3-(2-((5-methyl-1H-imidazol-4-yl)methylthio)ethyl)guanidine Ci metum Tagamet Hb 2-Cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)guanidine Cimetidina Tocris-0902 2984-61-4 CIMETIDINE A/AB Ulcedine 51481-61-9 Cimetidine, Pharmaceutical Secondary Standard; Certified Reference Material Ulhys AB0013083 CS-2325 Venopex Acitak DSSTox_GSID_20329 AKOS032949548 SBI-0050281.P004 EU-0100293 BDBM50103595 HMS2089O03 N-Cyano-N'-methyl-N''-(2-([(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl)ethyl)guanidine # HMS3651E21 N-methyl-N''''''''-cyano-N''''''''''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine KB-79578 N-tert-Butyl-N''''''''-[4-(1H-imidazol-4-yl)-phenyl]-formamidine(cimetidine) KS-5087 NCGC00015240-07 LS-73445 NCGC00091439-03 MLS000069791 NCI60_002936 MolPort-020-109-101 NSC757428 N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine(cimetidine) Q-200855 N-cyano-N'-methyl-N"- [2-((5-methyl-4-imidazolyl)methylthio)ethyl]guanidine Guanidine, N-cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio) ethyl)- N-cyano-N'-methyl-N"-[2-((5-methyl-4-imidazolyl)methylthio)ethyl]-guanidine |
| Inchi Key | AQIXAKUUQRKLND-UHFFFAOYSA-N |
| Inchi ID | InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) |
| PubChem CID | 2756 |
| ChEMBL | CHEMBL30 |
| IUPHAR | 1231 |
| BindingDB | 50103595, 22889, 50403559 |
| DrugBank | DB00501 |
Structure |  |
| Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
| Parameter | Value | Reference | Database source |
|---|---|---|---|
| Ki | <10000.0 nM | PMID6146381 | PDSP,BindingDB |
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