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Target
Potassium-transporting ATPase alpha chain 1/subunit beta
Ligand
BDBM50367964
Substrate
n/a
Meas. Tech.
ChEMBL_75908 (CHEMBL686428)
IC50
1000±n/a nM
Citation
 LaMattina, JL; McCarthy, PA; Reiter, LA; Holt, WF; Yeh, LA Antiulcer agents. 4-substituted 2-guanidinothiazoles: reversible, competitive, and selective inhibitors of gastric H+,K(+)-ATPase. J Med Chem 33:543-52 (1990) [PubMed]  Article 
Target
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:
MGKAENYELYSVELGPGPGGDMAAKMSKKKKAGGGGGKRKEKLENMKKEMEINDHQLSVAELEQKYQTSATKGLSASLAAELLLRDGPNALRPPRGTPEYVKFARQLAGGLQCLMWVAAAICLIAFAIQASEGDLTTDDNLYLAIALIAVVVVTGCFGYYQEFKSTNIIASFKNLVPQQATVIRDGDKFQINADQLVVGDLVEMKGGDRVPADIRILAAQGCKVDNSSLTGESEPQTRSPECTHESPLETRNIAFFSTMCLEGTVQGLVVNTGDRTIIGRIASLASGVENEKTPIAIEIEHFVDIIAGLAILFGATFFIVAMCIGYTFLRAMVFFMAIVVAYVPEGLLATVTVCLSLTAKRLASKNCVVKNLEAVETLGSTSVICSDKTGTLTQNRMTVSHLWFDNHIHTADTTEDQSGQTFDQSSETWRALCRVLTLCNRAAFKSGQDAVPVPKRIVIGDASETALLKFSELTLGNAMGYRDRFPKVCEIPFNSTNKFQLSIHTLEDPRDPRHLLVMKGAPERVLERCSSILIKGQELPLDEQWREAFQTAYLSLGGLGERVLGFCQLYLNEKDYPPGYAFDVEAMNFPSSGLCFAGLVSMIDPPRATVPDAVLKCRTAGIRVIMVTGDHPITAKAIAASVGIISEGSETVEDIAARLRVPVDQVNRKDARACVINGMQLKDMDPSELVEALRTHPEMVFARTSPQQKLVIVESCQRLGAIVAVTGDGVNDSPALKKADIGVAMGIAGSDAAKNAADMILLDDNFASIVTGVEQGRLIFDNLKKSIAYTLTKNIPELTPYLIYITVSVPLPLGCITILFIELCTDIFPSVSLAYEKAESDIMHLRPRNPKRDRLVNEPLAAYSYFQIGAIQSFAGFTDYFTAMAQEGWFPLLCVGLRAQWEDHHLQDLQDSYGQEWTFGQRLYQQYTCYTVFFISIEVCQIADVLIRKTRRLSAFQQGFFRNKILVIAIVFQVCIGCFLCYCPGMPNIFNFMPIRFQWWLVPLPYGILIFVYDEIRKLGVRCCPGSWWDQELYY
  
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:
MAALQEKKTCGQRMEEFQRYCWNPDTGQMLGRTLSRWVWISLYYVAFYVVMTGLFALCLYVLMQTVDPYTPDYQDQLRSPGVTLRPDVYGEKGLEIVYNVSDNRTWADLTQTLHAFLAGYSPAAQEDSINCTSEQYFFQESFRAPNHTKFSCKFTADMLQNCSGLADPNFGFEEGKPCFIIKMNRIVKFLPSNGSAPRVDCAFLDQPRELGQPLQVKYYPPNGTFSLHYFPYYGKKAQPHYSNPLVAAKLLNIPRNAEVAIVCKVMAEHVTFNNPHDPYEGKVEFKLKIEK
  
Inhibitor
Name:
BDBM50367964
Synonyms:
CHEMBL1203512
Type:
Small organic molecule
Emp. Form.:
C10H13N5S
Mol. Mass.:
235.309
SMILES:
Cc1[nH]ccc1-c1nc(N=C(N)N)sc1C |(1.49,-2.06,;.77,-1.06,;1.25,.4,;,1.31,;-1.25,.4,;-.77,-1.06,;-1.68,-2.31,;-1.07,-3.71,;-2.24,-4.71,;-2.12,-6.24,;-3.4,-7.11,;-3.3,-8.34,;-4.51,-6.58,;-3.55,-3.9,;-3.19,-2.41,;-3.99,-1.46,)|
Structure:
Search PDB for entries with ligand similarity: