●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 | 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 | N-cyano-N'-methyl-N"-[2-((5-methyl-4-imidazolyl)methylthio)ethyl]guanidine C10H16N6S STK528249 HMS2092I14 N-cyano-N'-methyl-N''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine CHEBI:3699 [ Show all ]Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil, Cimetidine HMS3712E13 1-Ethyl-2,3-dimethylimidazolium tosylate, 98% [EDiMIM] [TOS] N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-cyanoguanidine(cimetidine) Cimetadine Tox21_201160 KBio1_000166 2-methylamino-2-[2-(4-methyl-1H-5-imidazolylmethylsulfanyl)ethylamino]-(E)-1-imino cyanide NC00501 Cimetidine (Tagamet) Ulcomedina L000186 4H -Dithieno[3,2-b :2',3'-d ]pyrrole, 4-(1-octylnonyl)- NCGC00024859-01 Cimetidine [USAN:USP:INN:BAN:JAN] UPCMLD-DP029:001 LS-73446 AB00052157-03 NCGC00091439-04 Cimetimax {(1E)-1-(methylamino)-4-[(4-methylimidazol-5-yl)methylthio]-2-azabut-1-enyl}am inocarbonitrile MLS001148596 AC1Q3XK6 Q-200856 Neutromed DivK1c_000166 MolPort-020-313-426 AKOS016003398 SCHEMBL11282982 Opera_ID_314 Edalene N''''''''''''''''-cyano-N-methyl-N''''''''-({[(5-methyl-1H-imidazol-4-yl)methyl]thio}methyl)guanidine(cimetidine) Azucimet SPECTRUM1500684 FT-0602955 N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl) methylthio)ethyl]guanidine BRD-K34157611-001-04-6 SR-01000075260-3 Guanidine, N-cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)- SR-05000001434-2 Guanidine, N-cyano-N'-methyl-N''-[2-[[5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]- (cimetidine) N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine N-Cyano-N'-methyl-N''-(2-(((5-methyl-1 H-imidazol-4-yl) methyl)thio)ethyl)guanidine CCG-221597 Tagamet (TN) HMS3259M15 1-cyano-2-methyl-3-(2-((5-methyl-1H-imidazol-4-yl)methylthio)ethyl)guanidine N-cyano-N'-methyl-N''-[2-[[(5-methylimidazol-4-yl]methyl]thio]ethyl)guanidine Ci metum TL8003410 HY-14289 2-Cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)guanidine N-methyl-N'-{2-[(5-methylimidazol-4-yl)-methylthio]-ethyl}-N"-cyanoguanidine Cimetidina Ulcedin KBio2_006111 2984-61-4 NCGC00015240-03 CIMETIDINE A/AB Ulcostad Lopac-C-4522 51481-61-9 NCGC00024859-04 Cimetidine, Pharmaceutical Secondary Standard; Certified Reference Material Valmagen MCULE-2885245608 AB0013083 NCGC00185989-01 CS-2325 MolPort-001-838-193 Acitak SBB057794 NSC 335308 DSSTox_GSID_20329 N''''''''''''''''''''''''''''''''-cyano-N-methyl-N''''''''''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine AKOS032949548 SKF 92334 Pharmakon1600-01500684 EU-0100293 N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine BDBM50103595 Spectrum4_000812 Gastromet N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)methyl-thio)ethyl]guanidine Brumetidina N-cyano-N'-methyl-N"-[2-((5-methyl-4-imidazolyl)methylthio)-ethyl]guanidine C 4522 ST24048532 HMS1921C14 (E)-2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine N-cyano-N'-methyl-N''-(2-([(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl)ethyl)guanidine Cedine Tagamet Hb 200 HMS3369L10 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine N-cyanomethyl-N''''''''-methyl-N''''''''''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine ( Cimetidine) Cime Tox21_110106 J10340 2-cyano-1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]imino(-N-cyano)methanediaminem Cimetidine (JP15/USP/INN) Ulcimet KBioSS_000975 4-(((2-(((cyanoamino)(methylamino)methylene)amino)ethyl)thio)methyl)-5-methyl-1H-imidazole NCGC00015240-06 Cimetidine Hcl UNII-80061L1WGD LS-7278 943920-67-0 NCGC00091439-02 Cimetidinum ZINC18115268 MFCD00133296 AC-8100 NCGC00260978-01 MolPort-016-638-396 AKOS015900557 SCHEMBL1093 NSC335308 DuraH2 N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine (Cimetidine) ANW-46065 SMR000038895 Prestwick_65 EX-A1088 N-Cyano-N''''''''-methyl-N''''''''''''''''-(2-(((5-methyl-1H-imidazol-4-yl) methyl)thio)ethyl)guanidine(Cimetidine) BPBio1_000101 SR-01000075260 Guanidine, N''-cyano-N-methyl-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]- 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-imidazolylmethylthio)ethyl]guanidine CCG-204388 SW196380-2 HMS2095E13 1-Cyan-2-methyl-3-(2-{[(5-methylimidazol-4-yl)methyl]thio}ethyl)guanidin N-Cyano-N'-methyl-N''-[2-[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]guanidine Tametin HMS500I08 N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''''''''''-Cyano-guanidine Cimetag Tox21_500293 KBio2_000975 2-methylamino-2-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethylamino]-(Z)-1-imino cyanide(cimetidine) NCGC00015240-01 Cimetidine 1.0 mg/ml in Methanol Ulcomet L003827 NCGC00024859-02 Cimetidine, A Type US9138393, Cimetidine M-1577 AB00052157_04 NCGC00091439-05 Cimetum MLS002153265 Acibilin s1845 Neutronorm DRG-0150 N"-cyano-N-methyl-N'-[2-(5-methylimidazol-4-ylmethylthio)ethyl]-guanidine AKOS016340377 Sigmetadine Peptimax EINECS 257-232-2 N''-cyano-N-methyl-N'-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)-ethyl)guanidine BDBM181119 Spectrum2_000782 Galenamet N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)- methylthio)ethyl]guanidine BRD-K34157611-001-07-9 SR-05000001434 BSPBio_000091 SR-05000001750 H505 (Cimetidine)N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanomethyliminomethanediamine N-Cyano-N'-Methyl-N''-(2-(((5-Methyl-1H-Imidazol-4-YL)Methyl)Thio)Ethyl) Guanidine CCG-40160 Tagamet Hb HMS3260L08 1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine N-cyano-N'-methyl-N-"-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]guanidine Cimagen Tocris-0902 I14-0371 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]-1-cyanoiminomethanediamine Cimetidina [INN-Spanish] Ulcedine KBio3_002198 3-cyano-1-methyl-2-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine NCGC00015240-04 Cimetidine for peak identification, European Pharmacopoeia (EP) Reference Standard Ulhys Lopac0_000293 76181-71-0 NCGC00024859-05 Cimetidine, United States Pharmacopeia (USP) Reference Standard Venopex metidine AB03708 NCGC00188961-01 D00295 MolPort-002-542-886 AJ-70318 SBI-0050281.P004 NSC-335308 DSSTox_RID_75517 N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]-lambda~4~-sulfanyl}ethyl)guanidine Altramet SKF-92334 Phimetin Eureceptor N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine BDBM50403559 Spectrum5_001541 GTPL1231 N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)methylthio)ethyl) guanidine N-cyano-N'-methyl-N"-[2-((5-methyl-4-imidazolyl)methylthio)ethyl]-guanidine C06952 ST50411770 HMS2089O03 (Z)-1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine N-Cyano-N'-methyl-N''-(2-([(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl)ethyl)guanidine # cemitidine Tagamet HB200 (TN) HMS3651E21 1-Cyano-2-methyl-3-[2-[[(5-methylimidazol-4-yl)methyl]thio]ethyl]guanidine N-methyl-N''''''''-cyano-N''''''''''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine Cimeldine Tox21_110106_1 KB-79578 2-Methyl-8-phenethyl-imidazo[1,2-a]pyridine-3-carboxylic acid methyl ester(cimetidine) N-tert-Butyl-N''''''''-[4-(1H-imidazol-4-yl)-phenyl]-formamidine(cimetidine) Cimetidine (JP17/USP/INN) Ulcofalk KS-5087 481C619 NCGC00015240-07 Cimetidine [USAN:INN:BAN:JAN] UPCMLD-DP029 LS-73445 A828616 NCGC00091439-03 Cimetidinum [INN-Latin] Zita MLS000069791 AC1L1EE8 NCI60_002936 DB00501 MolPort-020-109-101 AKOS015951369 SCHEMBL1094 NSC757428 Dyspamet N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine(cimetidine) AQIXAKUUQRKLND-UHFFFAOYSA-N SPBio_000884 Q-200855 FPF 1002 N-cyano-N'-methyl-N"- [2-((5-methyl-4-imidazolyl)methylthio)ethyl]guanidine BRD-K18618618-001-01-6 SR-01000075260-1 Guanidine, N-cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio) ethyl)- SR-05000001434-1 Guanidine, N-cyano-N'-Methyl-N''-[2-[[(5-Methyl-1H-iMidazol-4-yl)Methyl]thio]ethyl]-, (Z)- (Cimetidine) N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine,cyanide N-cyano-N'-methyl-N"-[2-{(5-methyl-1H-imidazol-4-yl)methylthio}ethyl]guanidine CCG-220026 Tagamet HMS2232F16 1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine N-Cyano-N'-methyl-N''-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]guanidine CHEMBL30 TC-134810 HSDB 3917 2-Chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-benzenesulfonamide(Cimetidine) N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''''''''''-cyano-guanidine(Cimetidine) Cimetidin Tratul KBio2_003543 NCGC00015240-02 CIMETIDINE A Ulcometin L013434 NCGC00024859-03 Cimetidine, European Pharmacopoeia (EP) Reference Standard US9144538, Cimetidine Magicul AB00052157_05 NCGC00091439-07 CPD001370748 MLS002154178 Acinil SAM002554892 NINDS_000166 DSSTox_CID_329 N"-cyano-N-methyl-N'-[2-(5-methylimidazol-4-ylmethylthio)ethyl]guanidine AKOS026749950 SK&F-92334 Peptol Equaline acid reducer N''-cyano-N-methyl-N'-(2-((5-methyl-1h-imidazol-4-yl)-methylthio)ethyl)guanidine BDBM22889 Spectrum3_001389 Gastrobitan N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)-methylthio)ethyl]guanidine Brumetadina N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]guanidine BSPBio_002978 SR-05000001750-1 Histodil (E)-2-cyano-1-methyl-3-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine N-Cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine CCRIS 3247 Tagamet HB (TN) HMS3267A03 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine N-Cyano-N'-methyl-[2-[[[5-methyl-1H-imidazol-4-yl]methyl]thio]ethyl]guanidine Cimal Topcare heartburn relief IDI1_000166 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine (cimetidine) Ulcestop KBioGR_001323 3-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine NCGC00015240-05 Cimetidine for system suitability, European Pharmacopoeia (EP) Reference Standard Ultek LP00293 80061L1WGD NCGC00091439-01 Cimetidine,(S) Z1259192068 Metracin AB1009523 NCGC00258712-01 D02DPA MolPort-003-895-998 AKOS005460997 SC-15209 NSC-757428 DTXSID4020329 N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine AN-8331 SKF-92334; Tagamet Prestwick3_000026 Evicer N''-Cyano-N-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine Biomet400 Spectrum_000495 Guanidine, N''-cyano-N-methyl-N'-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)- |
| 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. |
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| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 11793 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
| 11791 | Histamine H1 receptor | P35367 | HRH1 | Homo sapiens (Human) | 487 |
| 11789 | Histamine H2 receptor | P47747 | HRH2 | Cavia porcellus (Guinea pig) | 359 |
| 11790 | Histamine H2 receptor | P25021 | HRH2 | Homo sapiens (Human) | 359 |
| 11797 | Histamine H2 receptor | P25102 | Hrh2 | Rattus norvegicus (Rat) | 358 |
| 11792 | Histamine H3 receptor | Q9Y5N1 | HRH3 | Homo sapiens (Human) | 445 |
| 11796 | Histamine H3 receptor | Q9QYN8 | Hrh3 | Rattus norvegicus (Rat) | 445 |
| 11794 | Histamine H4 receptor | Q9H3N8 | HRH4 | Homo sapiens (Human) | 390 |
| 11795 | Muscarinic acetylcholine receptor M1 | P08482 | Chrm1 | Rattus norvegicus (Rat) | 460 |
| 11798 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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