●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 | Histamine H4 receptor |
---|---|
Species | Homo sapiens (Human) |
Gene | HRH4 |
Synonym | Pfi-013 SP9144 HH4R H4R H4 receptor GPRv53 [ Show all ]GPCR105 G-protein coupled receptor 105 AXOR35 |
Disease | Allergic rhinitis Asthma Inflammatory disease Rheumatoid arthritis |
Length | 390 |
Amino acid sequence | MPDTNSTINLSLSTRVTLAFFMSLVAFAIMLGNALVILAFVVDKNLRHRSSYFFLNLAISDFFVGVISIPLYIPHTLFEWDFGKEICVFWLTTDYLLCTASVYNIVLISYDRYLSVSNAVSYRTQHTGVLKIVTLMVAVWVLAFLVNGPMILVSESWKDEGSECEPGFFSEWYILAITSFLEFVIPVILVAYFNMNIYWSLWKRDHLSRCQSHPGLTAVSSNICGHSFRGRLSSRRSLSASTEVPASFHSERQRRKSSLMFSSRTKMNSNTIASKMGSFSQSDSVALHQREHVELLRARRLAKSLAILLGVFAVCWAPYSLFTIVLSFYSSATGPKSVWYRIAFWLQWFNSFVNPLLYPLCHKRFQKAFLKIFCIKKQPLPSQHSRSVSS |
UniProt | Q9H3N8 |
Protein Data Bank | N/A |
GPCR-HGmod model | Q9H3N8 |
3D structure model | This predicted structure model is from GPCR-EXP Q9H3N8. |
BioLiP | N/A |
Therapeutic Target Database | T26500 |
ChEMBL | CHEMBL3759 |
IUPHAR | 265 |
DrugBank | BE0000146 |
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 | AC1L1EE8 Ulcedine DB00501 AKOS015951369 Ulhys Dyspamet [ Show all ]AQIXAKUUQRKLND-UHFFFAOYSA-N Venopex FPF 1002 BRD-K18618618-001-01-6 SBI-0050281.P004 C06952 (Z)-1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine SKF-92334 cemitidine 1-Cyano-2-methyl-3-[2-[[(5-methylimidazol-4-yl)methyl]thio]ethyl]guanidine Spectrum5_001541 Cimeldine 2-Methyl-8-phenethyl-imidazo[1,2-a]pyridine-3-carboxylic acid methyl ester(cimetidine) SR-05000001750 Cimetidine (JP17/USP/INN) 481C619 Tagamet Hb Cimetidine [USAN:INN:BAN:JAN] A828616 Tocris-0902 Cimetidinum [INN-Latin] 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 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 Tox21_110106_1 CPD001370748 Acinil Ulcofalk DSSTox_CID_329 AKOS026749950 UPCMLD-DP029 Equaline acid reducer BDBM22889 Zita Gastrobitan Brumetadina (Cimetidine) N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine,cyanide SCHEMBL1094 CCG-220026 1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine SPBio_000884 CHEMBL30 2-Chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-benzenesulfonamide(Cimetidine) SR-01000075260-1 Cimetidin ST50411770 CIMETIDINE A Tagamet HB200 (TN) Cimetidine, European Pharmacopoeia (EP) Reference Standard AB00052157_05 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)- 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 Tratul D02DPA AKOS005460997 Ulcometin DTXSID4020329 AN-8331 US9144538, Cimetidine Evicer Biomet400 SAM002554892 BSPBio_002978 (E)-2-cyano-1-methyl-3-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine SK&F-92334 CCRIS 3247 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Spectrum3_001389 Cimal 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine SR-05000001434-1 3-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Tagamet Cimetidine for system suitability, European Pharmacopoeia (EP) Reference Standard 80061L1WGD TC-134810 Cimetidine,(S) AB1009523 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 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 AC1Q3XK6 Ulcestop DivK1c_000166 AKOS016003398 Ultek Edalene Azucimet Z1259192068 FT-0602955 BRD-K34157611-001-04-6 SC-15209 C10H16N6S SKF-92334; Tagamet CHEBI:3699 1-Ethyl-2,3-dimethylimidazolium tosylate, 98% [EDiMIM] [TOS] Spectrum_000495 Cimetadine 2-methylamino-2-[2-(4-methyl-1H-5-imidazolylmethylsulfanyl)ethylamino]-(E)-1-imino cyanide SR-05000001750-1 Cimetidine (Tagamet) 4H -Dithieno[3,2-b :2',3'-d ]pyrrole, 4-(1-octylnonyl)- Tagamet HB (TN) Cimetidine [USAN:USP:INN:BAN:JAN] AB00052157-03 Topcare heartburn relief Cimetimax 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)- 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 Tox21_201160 CS-2325 Acitak Ulcomedina DSSTox_GSID_20329 AKOS032949548 UPCMLD-DP029:001 EU-0100293 BDBM50103595 {(1E)-1-(methylamino)-4-[(4-methylimidazol-5-yl)methylthio]-2-azabut-1-enyl}am inocarbonitrile Gastromet Q-200856 Brumetidina (cimetidine) N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine SCHEMBL11282982 CCG-221597 1-cyano-2-methyl-3-(2-((5-methyl-1H-imidazol-4-yl)methylthio)ethyl)guanidine SPECTRUM1500684 Ci metum 2-Cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)guanidine SR-01000075260-3 Cimetidina 2984-61-4 STK528249 CIMETIDINE A/AB 51481-61-9 Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil, Cimetidine Cimetidine, Pharmaceutical Secondary Standard; Certified Reference Material AB0013083 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]- 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 AC-8100 Ulcedin AKOS015900557 Ulcostad DuraH2 ANW-46065 Valmagen EX-A1088 BPBio1_000101 SBB057794 C 4522 (E)-2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine SKF 92334 Cedine 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine Spectrum4_000812 Cime 2-cyano-1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine SR-05000001434-2 Cimetidine (JP15/USP/INN) 4-(((2-(((cyanoamino)(methylamino)methylene)amino)ethyl)thio)methyl)-5-methyl-1H-imidazole Tagamet (TN) Cimetidine Hcl 943920-67-0 TL8003410 Cimetidinum 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 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 Acibilin Ulcimet DRG-0150 AKOS016340377 UNII-80061L1WGD EINECS 257-232-2 BDBM181119 ZINC18115268 Galenamet BRD-K34157611-001-07-9 SCHEMBL1093 CCG-204388 1-Cyan-2-methyl-3-(2-{[(5-methylimidazol-4-yl)methyl]thio}ethyl)guanidin SMR000038895 SR-01000075260 Cimetag 2-methylamino-2-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethylamino]-(Z)-1-imino cyanide(cimetidine) ST24048532 Cimetidine 1.0 mg/ml in Methanol Tagamet Hb 200 Cimetidine, A Type AB00052157_04 Tox21_110106 Cimetum 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]- 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 Tox21_500293 D00295 AJ-70318 Ulcomet DSSTox_RID_75517 Altramet US9138393, Cimetidine Eureceptor BDBM50403559 GTPL1231 s1845 BSPBio_000091 (Cimetidine)N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanomethyliminomethanediamine Sigmetadine CCG-40160 1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine Spectrum2_000782 Cimagen 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine SR-05000001434 Cimetidina [INN-Spanish] 3-cyano-1-methyl-2-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine SW196380-2 Cimetidine for peak identification, European Pharmacopoeia (EP) Reference Standard 76181-71-0 Tametin Cimetidine, United States Pharmacopeia (USP) Reference Standard AB03708 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 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 |
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. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | <10000.0 nM | PMID11179434, PMID11179435, PMID15947036 | PDSP,BindingDB |
pKb | >5.0 - | MedChemComm, (2014) 5:1:72 | ChEMBL |
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