●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred ●TCRfinder
●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER
●BioLiP ●HPmod ●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 | DRG-0150 N''-Cyano-N-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine Ulcedine AKOS016340377 Guanidine, N''-cyano-N-methyl-N'-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)- EINECS 257-232-2 [ Show all ]N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]guanidine Ulhys BDBM181119 Histodil Galenamet N-Cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine Venopex BRD-K34157611-001-07-9 HMS3267A03 N-Cyano-N'-methyl-[2-[[[5-methyl-1H-imidazol-4-yl]methyl]thio]ethyl]guanidine CCG-204388 IDI1_000166 SBI-0050281.P004 1-Cyan-2-methyl-3-(2-{[(5-methylimidazol-4-yl)methyl]thio}ethyl)guanidin N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine (cimetidine) KBioGR_001323 SKF-92334 NCGC00015240-05 Cimetag LP00293 Spectrum5_001541 2-methylamino-2-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethylamino]-(Z)-1-imino cyanide(cimetidine) NCGC00091439-01 Cimetidine 1.0 mg/ml in Methanol Metracin SR-05000001750 NCGC00258712-01 Cimetidine, A Type MolPort-003-895-998 Tagamet Hb AB00052157_04 NSC-757428 Cimetum N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine Tocris-0902 Acibilin Prestwick3_000026 DSSTox_RID_75517 N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl) methylthio)ethyl]guanidine Ulcofalk Altramet Guanidine, N-cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)- Eureceptor N-cyano-N'-methyl-N"-[2-((5-methyl-4-imidazolyl)methylthio)ethyl]guanidine UPCMLD-DP029 BDBM50403559 HMS2092I14 GTPL1231 N-cyano-N'-methyl-N''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine Zita BSPBio_000091 HMS3712E13 (Cimetidine)N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanomethyliminomethanediamine N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-cyanoguanidine(cimetidine) CCG-40160 KBio1_000166 SCHEMBL1094 1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine NC00501 Cimagen L000186 SPBio_000884 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine NCGC00024859-01 Cimetidina [INN-Spanish] LS-73446 SR-01000075260-1 3-cyano-1-methyl-2-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine NCGC00091439-04 Cimetidine for peak identification, European Pharmacopoeia (EP) Reference Standard MLS001148596 ST50411770 76181-71-0 Neutromed Cimetidine, United States Pharmacopeia (USP) Reference Standard MolPort-020-313-426 Tagamet HB200 (TN) AB03708 Opera_ID_314 D00295 N''''''''''''''''-cyano-N-methyl-N''''''''-({[(5-methyl-1H-imidazol-4-yl)methyl]thio}methyl)guanidine(cimetidine) Tox21_110106_1 AJ-70318 Tratul AKOS015951369 Dyspamet N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)methyl-thio)ethyl]guanidine Ulcometin AQIXAKUUQRKLND-UHFFFAOYSA-N Guanidine, N-cyano-N'-methyl-N''-[2-[[5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]- FPF 1002 N-Cyano-N'-methyl-N''-(2-(((5-methyl-1 H-imidazol-4-yl) methyl)thio)ethyl)guanidine US9144538, Cimetidine BRD-K18618618-001-01-6 HMS3259M15 N-cyano-N'-methyl-N''-[2-[[(5-methylimidazol-4-yl]methyl]thio]ethyl)guanidine C06952 HY-14289 SAM002554892 (Z)-1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine N-methyl-N'-{2-[(5-methylimidazol-4-yl)-methylthio]-ethyl}-N"-cyanoguanidine cemitidine KBio2_006111 SK&F-92334 1-Cyano-2-methyl-3-[2-[[(5-methylimidazol-4-yl)methyl]thio]ethyl]guanidine NCGC00015240-03 Cimeldine Lopac-C-4522 Spectrum3_001389 2-Methyl-8-phenethyl-imidazo[1,2-a]pyridine-3-carboxylic acid methyl ester(cimetidine) NCGC00024859-04 Cimetidine (JP17/USP/INN) MCULE-2885245608 SR-05000001434-1 481C619 NCGC00185989-01 Cimetidine [USAN:INN:BAN:JAN] MolPort-001-838-193 Tagamet A828616 NSC 335308 Cimetidinum [INN-Latin] N''''''''''''''''''''''''''''''''-cyano-N-methyl-N''''''''''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine TC-134810 AC1L1EE8 Pharmakon1600-01500684 DB00501 N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine DSSTox_CID_329 N-Cyano-N''''''''-methyl-N''''''''''''''''-(2-(((5-methyl-1H-imidazol-4-yl) methyl)thio)ethyl)guanidine(Cimetidine) Ulcestop AKOS026749950 Guanidine, N''-cyano-N-methyl-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]- Equaline acid reducer N-cyano-N'-methyl-N"-[2-((5-methyl-4-imidazolyl)methylthio)-ethyl]guanidine Ultek BDBM22889 HMS1921C14 Gastrobitan N-cyano-N'-methyl-N''-(2-([(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl)ethyl)guanidine Z1259192068 Brumetadina HMS3369L10 (Cimetidine) N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine,cyanide N-cyanomethyl-N''''''''-methyl-N''''''''''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine ( Cimetidine) CCG-220026 J10340 SC-15209 1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]imino(-N-cyano)methanediaminem CHEMBL30 KBioSS_000975 SKF-92334; Tagamet 2-Chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-benzenesulfonamide(Cimetidine) NCGC00015240-06 Cimetidin LS-7278 Spectrum_000495 NCGC00091439-02 CIMETIDINE A MFCD00133296 SR-05000001750-1 NCGC00260978-01 Cimetidine, European Pharmacopoeia (EP) Reference Standard MolPort-016-638-396 Tagamet HB (TN) AB00052157_05 NSC335308 CPD001370748 N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine (Cimetidine) Topcare heartburn relief Acinil Prestwick_65 AKOS005460997 DTXSID4020329 N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)- methylthio)ethyl]guanidine Ulcomedina AN-8331 Guanidine, N-cyano-N'-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]- Evicer N-cyano-N'-methyl-N"-[2-(5-methyl-4-imidazolylmethylthio)ethyl]guanidine UPCMLD-DP029:001 Biomet400 HMS2095E13 N-Cyano-N'-methyl-N''-[2-[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]guanidine {(1E)-1-(methylamino)-4-[(4-methylimidazol-5-yl)methylthio]-2-azabut-1-enyl}am inocarbonitrile BSPBio_002978 HMS500I08 Q-200856 (E)-2-cyano-1-methyl-3-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''''''''''-Cyano-guanidine CCRIS 3247 KBio2_000975 SCHEMBL11282982 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine NCGC00015240-01 Cimal L003827 SPECTRUM1500684 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine NCGC00024859-02 M-1577 SR-01000075260-3 3-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine NCGC00091439-05 Cimetidine for system suitability, European Pharmacopoeia (EP) Reference Standard MLS002153265 STK528249 80061L1WGD Neutronorm Cimetidine,(S) N"-cyano-N-methyl-N'-[2-(5-methylimidazol-4-ylmethylthio)ethyl]-guanidine Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil, Cimetidine AB1009523 Peptimax D02DPA N''-cyano-N-methyl-N'-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)-ethyl)guanidine Tox21_201160 N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine Ulcedin AKOS016003398 Edalene N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)methylthio)ethyl) guanidine Ulcostad Azucimet H505 FT-0602955 N-Cyano-N'-Methyl-N''-(2-(((5-Methyl-1H-Imidazol-4-YL)Methyl)Thio)Ethyl) Guanidine Valmagen BRD-K34157611-001-04-6 HMS3260L08 N-cyano-N'-methyl-N-"-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]guanidine C10H16N6S I14-0371 SBB057794 N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]-1-cyanoiminomethanediamine CHEBI:3699 KBio3_002198 SKF 92334 1-Ethyl-2,3-dimethylimidazolium tosylate, 98% [EDiMIM] [TOS] NCGC00015240-04 Cimetadine Lopac0_000293 Spectrum4_000812 2-methylamino-2-[2-(4-methyl-1H-5-imidazolylmethylsulfanyl)ethylamino]-(E)-1-imino cyanide NCGC00024859-05 Cimetidine (Tagamet) metidine SR-05000001434-2 4H -Dithieno[3,2-b :2',3'-d ]pyrrole, 4-(1-octylnonyl)- NCGC00188961-01 Cimetidine [USAN:USP:INN:BAN:JAN] MolPort-002-542-886 Tagamet (TN) AB00052157-03 NSC-335308 Cimetimax N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]-lambda~4~-sulfanyl}ethyl)guanidine TL8003410 AC1Q3XK6 Phimetin DivK1c_000166 DSSTox_GSID_20329 N-cyano-N'-methyl-N"- [2-((5-methyl-4-imidazolyl)methylthio)ethyl]guanidine Ulcimet AKOS032949548 Guanidine, N-cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio) ethyl)- EU-0100293 N-cyano-N'-methyl-N"-[2-((5-methyl-4-imidazolyl)methylthio)ethyl]-guanidine UNII-80061L1WGD BDBM50103595 HMS2089O03 Gastromet N-Cyano-N'-methyl-N''-(2-([(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl)ethyl)guanidine # ZINC18115268 Brumetidina HMS3651E21 (cimetidine) N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine N-methyl-N''''''''-cyano-N''''''''''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine CCG-221597 KB-79578 SCHEMBL1093 1-cyano-2-methyl-3-(2-((5-methyl-1H-imidazol-4-yl)methylthio)ethyl)guanidine N-tert-Butyl-N''''''''-[4-(1H-imidazol-4-yl)-phenyl]-formamidine(cimetidine) Ci metum KS-5087 SMR000038895 2-Cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)guanidine NCGC00015240-07 Cimetidina LS-73445 SR-01000075260 2984-61-4 NCGC00091439-03 CIMETIDINE A/AB MLS000069791 ST24048532 51481-61-9 NCI60_002936 Cimetidine, Pharmaceutical Secondary Standard; Certified Reference Material MolPort-020-109-101 Tagamet Hb 200 AB0013083 NSC757428 CS-2325 N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine(cimetidine) Tox21_110106 Acitak Q-200855 Tox21_500293 AKOS015900557 DuraH2 N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)-methylthio)ethyl]guanidine Ulcomet ANW-46065 Guanidine, N-cyano-N'-Methyl-N''-[2-[[(5-Methyl-1H-iMidazol-4-yl)Methyl]thio]ethyl]-, (Z)- EX-A1088 N-cyano-N'-methyl-N"-[2-{(5-methyl-1H-imidazol-4-yl)methylthio}ethyl]guanidine US9138393, Cimetidine BPBio1_000101 HMS2232F16 N-Cyano-N'-methyl-N''-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]guanidine C 4522 HSDB 3917 s1845 (E)-2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''''''''''-cyano-guanidine(Cimetidine) Cedine KBio2_003543 Sigmetadine 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine NCGC00015240-02 Cime L013434 Spectrum2_000782 2-cyano-1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine NCGC00024859-03 Cimetidine (JP15/USP/INN) Magicul SR-05000001434 4-(((2-(((cyanoamino)(methylamino)methylene)amino)ethyl)thio)methyl)-5-methyl-1H-imidazole NCGC00091439-07 Cimetidine Hcl MLS002154178 SW196380-2 943920-67-0 NINDS_000166 Cimetidinum N"-cyano-N-methyl-N'-[2-(5-methylimidazol-4-ylmethylthio)ethyl]guanidine Tametin AC-8100 Peptol N''-cyano-N-methyl-N'-(2-((5-methyl-1h-imidazol-4-yl)-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. |
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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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