Reaction Details |
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Target | Potassium-transporting ATPase alpha chain 1/subunit beta |
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Ligand | BDBM50056042 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_162726 (CHEMBL765030) |
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IC50 | 1200±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 |
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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BDBM50056042 |
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n/a |
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Name | BDBM50056042 |
Synonyms: | CHEMBL108285 | N-Pyridin-4-yl-2-(2,4,6-trimethoxy-phenylmethanesulfinyl)-nicotinamide |
Type | Small organic molecule |
Emp. Form. | C21H21N3O5S |
Mol. Mass. | 427.474 |
SMILES | COc1cc(OC)c(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1 |
Structure |
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