| Reaction Details |
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 | Report a problem with these data |
| Target | Potassium-transporting ATPase alpha chain 1/subunit beta |
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| Ligand | BDBM50056056 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_162726 (CHEMBL765030) |
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| IC50 | 590.0±n/a nM |
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| Citation |  Terauchi, H; Tanitame, A; Tada, K; Nakamura, K; Seto, Y; Nishikawa, Y Nicotinamide derivatives as a new class of gastric H+/K(+)-ATPase inhibitors. 1. Synthesis and structure-activity relationships of N-substituted 2-(benzhydryl- and benzylsulfinyl)nicotinamides. J Med Chem40:313-21 (1997) [PubMed] Article |
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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 |
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| Synonyms: | Potassium-transporting ATPase | Potassium-transporting ATPase alpha chain 1/beta chain |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 71495 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Potassium-transporting ATPase alpha chain 1 |
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| Synonyms: | ATP4A | ATP4A_HUMAN | Gastric H(+)/K(+) ATPase subunit alpha | Potassium-transporting ATPase | Potassium-transporting ATPase alpha chain 1 | Proton pump |
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| Type: | PROTEIN |
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| Mol. Mass.: | 114109.05 |
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| Organism: | Homo sapiens (Human) |
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| Description: | EBI_82 |
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| Residue: | 1035 |
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| 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 |
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| Synonyms: | ATP4B | ATP4B_HUMAN | Gastric H(+)/K(+) ATPase subunit beta | Potassium-transporting ATPase | Potassium-transporting ATPase subunit beta | Proton pump beta chain |
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| Type: | PROTEIN |
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| Mol. Mass.: | 33369.83 |
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| Organism: | Homo sapiens (Human) |
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| Description: | EBI_10719 |
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| Residue: | 291 |
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| Sequence: | MAALQEKKTCGQRMEEFQRYCWNPDTGQMLGRTLSRWVWISLYYVAFYVVMTGLFALCLY
VLMQTVDPYTPDYQDQLRSPGVTLRPDVYGEKGLEIVYNVSDNRTWADLTQTLHAFLAGY
SPAAQEDSINCTSEQYFFQESFRAPNHTKFSCKFTADMLQNCSGLADPNFGFEEGKPCFI
IKMNRIVKFLPSNGSAPRVDCAFLDQPRELGQPLQVKYYPPNGTFSLHYFPYYGKKAQPH
YSNPLVAAKLLNIPRNAEVAIVCKVMAEHVTFNNPHDPYEGKVEFKLKIEK
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| BDBM50056056 |
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| n/a |
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| Name | BDBM50056056 |
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| Synonyms: | 2-(2,4-Dimethoxy-phenylmethanesulfinyl)-N-pyridin-4-yl-nicotinamide | CHEMBL323189 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H19N3O4S |
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| Mol. Mass. | 397.448 |
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| SMILES | COc1ccc(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1 |
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| Structure | 
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