InChIKey	LPMXVESGRSUGHW-HBYQJFLCSA-N
Compound Name	Ouabain
Canonical SMILES	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	7.07
Source	BindingDB;ChEMBL

DrugBank ID	DB01092
Drug Name	Ouabain
CAS Number	630-60-4
Groups	approved
ATC Codes	C01AC01
Description	A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like digitalis. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-exchanging ATPase.

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Categories: Carbohydrates Cardanolides Cardenolides Cardiac Glycosides Cardiac Therapy Cardiotonic Agents Cardiovascular Agents Compounds used in a research, industrial, or household setting Enzyme Inhibitors Fused-Ring Compounds Glycosides OAT3/SLC22A8 Inhibitors OATP1B1/SLCO1B1 Inhibitors OATP1B1/SLCO1B1 Substrates OATP1B3 substrates Protective Agents Steroids Strophanthins Strophanthus Glycosides

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Cross-references: BindingDB: 50286739 ChEBI: 472805 CHEMBL222863 ChemSpider: 388599 C01443 D00112 PDB: OBN PharmGKB: PA163522138 PubChem:439501 PubChem:46505479 RxCUI: 7762 Therapeutic Targets Database: DAP000465 Wikipedia: Ouabain ZINC: ZINC000008143614