●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
You can:
| 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 | Cimetidine, United States Pharmacopeia (USP) Reference Standard Zita AB03708 D00295 AJ-70318 SCHEMBL1094 [ Show all ]DSSTox_RID_75517 Altramet SPBio_000884 Eureceptor BDBM50403559 SR-01000075260-1 GTPL1231 BSPBio_000091 ST50411770 (Cimetidine)N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanomethyliminomethanediamine CCG-40160 Tagamet HB200 (TN) 1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine Cimagen Tox21_110106_1 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine Cimetidina [INN-Spanish] Ulcofalk 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 UPCMLD-DP029 76181-71-0 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)- 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 US9144538, Cimetidine A828616 Cimetidinum [INN-Latin] AC1L1EE8 SAM002554892 DB00501 AKOS015951369 SK&F-92334 Dyspamet AQIXAKUUQRKLND-UHFFFAOYSA-N Spectrum3_001389 FPF 1002 BRD-K18618618-001-01-6 SR-05000001434-1 C06952 Tagamet (Z)-1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine cemitidine TC-134810 1-Cyano-2-methyl-3-[2-[[(5-methylimidazol-4-yl)methyl]thio]ethyl]guanidine Cimeldine Tratul 2-Methyl-8-phenethyl-imidazo[1,2-a]pyridine-3-carboxylic acid methyl ester(cimetidine) Cimetidine (JP17/USP/INN) Ulcometin 481C619 Cimetidine [USAN:INN:BAN:JAN] 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 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 Cimetidine, European Pharmacopoeia (EP) Reference Standard Z1259192068 AB00052157_05 CPD001370748 Acinil SC-15209 DSSTox_CID_329 AKOS026749950 SKF-92334; Tagamet Equaline acid reducer BDBM22889 Spectrum_000495 Gastrobitan Brumetadina SR-05000001750-1 (Cimetidine) N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine,cyanide CCG-220026 Tagamet HB (TN) 1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine CHEMBL30 Topcare heartburn relief 2-Chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-benzenesulfonamide(Cimetidine) Cimetidin Ulcestop CIMETIDINE A Ultek 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)- 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 80061L1WGD Cimetidine,(S) {(1E)-1-(methylamino)-4-[(4-methylimidazol-5-yl)methylthio]-2-azabut-1-enyl}am inocarbonitrile AB1009523 Q-200856 D02DPA AKOS005460997 SCHEMBL11282982 DTXSID4020329 AN-8331 SPECTRUM1500684 Evicer Biomet400 SR-01000075260-3 BSPBio_002978 STK528249 (E)-2-cyano-1-methyl-3-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine CCRIS 3247 Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil, Cimetidine 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Cimal Tox21_201160 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine Ulcomedina 3-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Cimetidine for system suitability, European Pharmacopoeia (EP) Reference Standard UPCMLD-DP029:001 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]- 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 Valmagen AB00052157-03 Cimetimax AC1Q3XK6 SBB057794 DivK1c_000166 AKOS016003398 SKF 92334 Edalene Azucimet Spectrum4_000812 FT-0602955 BRD-K34157611-001-04-6 SR-05000001434-2 C10H16N6S Tagamet (TN) CHEBI:3699 TL8003410 1-Ethyl-2,3-dimethylimidazolium tosylate, 98% [EDiMIM] [TOS] Cimetadine Ulcedin 2-methylamino-2-[2-(4-methyl-1H-5-imidazolylmethylsulfanyl)ethylamino]-(E)-1-imino cyanide Cimetidine (Tagamet) Ulcostad 4H -Dithieno[3,2-b :2',3'-d ]pyrrole, 4-(1-octylnonyl)- Cimetidine [USAN:USP:INN:BAN:JAN] 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 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 Cimetidine, Pharmaceutical Secondary Standard; Certified Reference Material ZINC18115268 AB0013083 CS-2325 Acitak SCHEMBL1093 DSSTox_GSID_20329 AKOS032949548 SMR000038895 EU-0100293 BDBM50103595 SR-01000075260 Gastromet Brumetidina ST24048532 (cimetidine) N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine CCG-221597 Tagamet Hb 200 1-cyano-2-methyl-3-(2-((5-methyl-1H-imidazol-4-yl)methylthio)ethyl)guanidine Ci metum Tox21_110106 2-Cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)guanidine Cimetidina Ulcimet 2984-61-4 CIMETIDINE A/AB UNII-80061L1WGD 51481-61-9 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]- 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 943920-67-0 Cimetidinum AC-8100 s1845 AKOS015900557 Sigmetadine DuraH2 ANW-46065 Spectrum2_000782 EX-A1088 BPBio1_000101 SR-05000001434 C 4522 SW196380-2 (E)-2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine Cedine Tametin 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine Cime Tox21_500293 2-cyano-1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Cimetidine (JP15/USP/INN) Ulcomet 4-(((2-(((cyanoamino)(methylamino)methylene)amino)ethyl)thio)methyl)-5-methyl-1H-imidazole Cimetidine Hcl US9138393, Cimetidine 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 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 Cimetidine, A Type Venopex AB00052157_04 Cimetum Acibilin SBI-0050281.P004 DRG-0150 AKOS016340377 SKF-92334 EINECS 257-232-2 BDBM181119 Spectrum5_001541 Galenamet BRD-K34157611-001-07-9 SR-05000001750 CCG-204388 Tagamet Hb 1-Cyan-2-methyl-3-(2-{[(5-methylimidazol-4-yl)methyl]thio}ethyl)guanidin Tocris-0902 Cimetag Ulcedine 2-methylamino-2-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethylamino]-(Z)-1-imino cyanide(cimetidine) Cimetidine 1.0 mg/ml in Methanol Ulhys 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 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 |
| 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 | 22889, 50403559, 50103595 |
| DrugBank | DB00501 |
Structure |  |
| Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
You can:
| 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 |
zhanglab
zhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417