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