Reaction Details |
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Target | Potassium-transporting ATPase alpha chain 1/subunit beta |
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Ligand | BDBM22889 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_164920 (CHEMBL770631) |
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IC50 | 820±n/a nM |
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Citation | Sanfilippo, PJ; Urbanski, M; Press, JB; Hajos, ZG; Shriver, DA; Scott, CK Synthesis of (aryloxy)alkylamines. 1. Novel antisecretory agents with H+K+-ATPase inhibitory activity. J Med Chem31:1778-85 (1988) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Potassium-transporting ATPase alpha chain 1/subunit beta |
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Name: | Potassium-transporting ATPase alpha chain 1/subunit beta |
Synonyms: | Potassium-transporting ATPase | Potassium-transporting ATPase alpha chain 1/beta chain |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of EBI is 71495 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Potassium-transporting ATPase alpha chain 1 |
Synonyms: | ATP4A | ATP4A_HUMAN | Gastric H(+)/K(+) ATPase subunit alpha | Potassium-transporting ATPase | Potassium-transporting ATPase alpha chain 1 | Proton pump |
Type: | PROTEIN |
Mol. Mass.: | 114109.05 |
Organism: | Homo sapiens (Human) |
Description: | EBI_82 |
Residue: | 1035 |
Sequence: | MGKAENYELYSVELGPGPGGDMAAKMSKKKKAGGGGGKRKEKLENMKKEMEINDHQLSVA
ELEQKYQTSATKGLSASLAAELLLRDGPNALRPPRGTPEYVKFARQLAGGLQCLMWVAAA
ICLIAFAIQASEGDLTTDDNLYLAIALIAVVVVTGCFGYYQEFKSTNIIASFKNLVPQQA
TVIRDGDKFQINADQLVVGDLVEMKGGDRVPADIRILAAQGCKVDNSSLTGESEPQTRSP
ECTHESPLETRNIAFFSTMCLEGTVQGLVVNTGDRTIIGRIASLASGVENEKTPIAIEIE
HFVDIIAGLAILFGATFFIVAMCIGYTFLRAMVFFMAIVVAYVPEGLLATVTVCLSLTAK
RLASKNCVVKNLEAVETLGSTSVICSDKTGTLTQNRMTVSHLWFDNHIHTADTTEDQSGQ
TFDQSSETWRALCRVLTLCNRAAFKSGQDAVPVPKRIVIGDASETALLKFSELTLGNAMG
YRDRFPKVCEIPFNSTNKFQLSIHTLEDPRDPRHLLVMKGAPERVLERCSSILIKGQELP
LDEQWREAFQTAYLSLGGLGERVLGFCQLYLNEKDYPPGYAFDVEAMNFPSSGLCFAGLV
SMIDPPRATVPDAVLKCRTAGIRVIMVTGDHPITAKAIAASVGIISEGSETVEDIAARLR
VPVDQVNRKDARACVINGMQLKDMDPSELVEALRTHPEMVFARTSPQQKLVIVESCQRLG
AIVAVTGDGVNDSPALKKADIGVAMGIAGSDAAKNAADMILLDDNFASIVTGVEQGRLIF
DNLKKSIAYTLTKNIPELTPYLIYITVSVPLPLGCITILFIELCTDIFPSVSLAYEKAES
DIMHLRPRNPKRDRLVNEPLAAYSYFQIGAIQSFAGFTDYFTAMAQEGWFPLLCVGLRAQ
WEDHHLQDLQDSYGQEWTFGQRLYQQYTCYTVFFISIEVCQIADVLIRKTRRLSAFQQGF
FRNKILVIAIVFQVCIGCFLCYCPGMPNIFNFMPIRFQWWLVPLPYGILIFVYDEIRKLG
VRCCPGSWWDQELYY
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Component 2 |
Name: | Potassium-transporting ATPase subunit beta |
Synonyms: | ATP4B | ATP4B_HUMAN | Gastric H(+)/K(+) ATPase subunit beta | Potassium-transporting ATPase | Potassium-transporting ATPase subunit beta | Proton pump beta chain |
Type: | PROTEIN |
Mol. Mass.: | 33369.83 |
Organism: | Homo sapiens (Human) |
Description: | EBI_10719 |
Residue: | 291 |
Sequence: | MAALQEKKTCGQRMEEFQRYCWNPDTGQMLGRTLSRWVWISLYYVAFYVVMTGLFALCLY
VLMQTVDPYTPDYQDQLRSPGVTLRPDVYGEKGLEIVYNVSDNRTWADLTQTLHAFLAGY
SPAAQEDSINCTSEQYFFQESFRAPNHTKFSCKFTADMLQNCSGLADPNFGFEEGKPCFI
IKMNRIVKFLPSNGSAPRVDCAFLDQPRELGQPLQVKYYPPNGTFSLHYFPYYGKKAQPH
YSNPLVAAKLLNIPRNAEVAIVCKVMAEHVTFNNPHDPYEGKVEFKLKIEK
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BDBM22889 |
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n/a |
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Name | BDBM22889 |
Synonyms: | (Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine,cyanide | (Cimetidine)N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanomethyliminomethanediamine | (cimetidine) N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine | 1-cyano-2-methyl-3-(2-((5-methyl-1H-imidazol-4-yl)methylthio)ethyl)guanidine | 1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine | 2-Chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-benzenesulfonamide(Cimetidine) | 2-Methyl-8-phenethyl-imidazo[1,2-a]pyridine-3-carboxylic acid methyl ester(cimetidine) | 2-methylamino-2-[2-(4-methyl-1H-5-imidazolylmethylsulfanyl)ethylamino]-(E)-1-imino cyanide | 2-methylamino-2-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethylamino]-(Z)-1-imino cyanide(cimetidine) | ; N''''''''-cyano-N-methyl-N''''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)-ethyl)guanidine | CHEMBL30 | Cimetidine | Eureceptor | 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]-lambda~4~-sulfanyl}ethyl)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)guanidine (Cimetidine) | N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine(cimetidine) | N''''''''-cyano-N-methyl-N''''-({[(5-methyl-1H-imidazol-4-yl)methyl]thio}methyl)guanidine(cimetidine) | N-Cyano-N''''-methyl-N''''''''-(2-(((5-methyl-1H-imidazol-4-yl) methyl)thio)ethyl)guanidine(Cimetidine) | N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''-Cyano-guanidine | N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''-cyano-guanidine(Cimetidine) | N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-cyanoguanidine(cimetidine) | N-cyanomethyl-N''''-methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine ( Cimetidine) | N-methyl-N''''-cyano-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine | N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]-1-cyanoiminomethanediamine | N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine (cimetidine) | N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]imino(-N-cyano)methanediaminem | N-tert-Butyl-N''''-[4-(1H-imidazol-4-yl)-phenyl]-formamidine(cimetidine) | Tagamet | Tagamet HB | Tagamet hb 200 | cemitidine |
Type | Small organic molecule |
Emp. Form. | C10H16N6S |
Mol. Mass. | 252.339 |
SMILES | CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6| |
Structure |
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