| 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 | BDBM50230585 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_76088 (CHEMBL858329) |
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| IC50 | 794±n/a nM |
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| Citation |  Kohl, B; Sturm, E; Senn-Bilfinger, J; Simon, WA; Krüger, U; Schaefer, H; Rainer, G; Figala, V; Klemm, K (H+,K+)-ATPase inhibiting 2-[(2-pyridylmethyl)sulfinyl]benzimidazoles. 4. A novel series of dimethoxypyridyl-substituted inhibitors with enhanced selectivity. The selection of pantoprazole as a clinical candidate. J Med Chem35:1049-57 (1992) [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 |
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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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| BDBM50230585 |
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| n/a |
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| Name | BDBM50230585 |
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| Synonyms: | CHEMBL9856 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H16F3N3O3S |
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| Mol. Mass. | 399.387 |
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| SMILES | COc1ccnc(C[S+]([O-])c2nc3cc(OCC(F)(F)F)ccc3[nH]2)c1C |
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| Structure | 
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