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Target
V-type proton ATPase subunit S1
Ligand
BDBM50064438
Substrate
n/a
Meas. Tech.
ChEMBL_215469 (CHEMBL816939)
IC50
>10000±n/a nM
Citation
 Gagliardi, S; Gatti, PA; Belfiore, P; Zocchetti, A; Clarke, GD; Farina, C Synthesis and structure-activity relationships of bafilomycin A1 derivatives as inhibitors of vacuolar H+-ATPase. J Med Chem 41:1883-93 (1998) [PubMed]  Article 
Target
Name:
V-type proton ATPase subunit S1
Synonyms:
ATP6AP1 | ATP6IP1 | ATP6S1 | Protein XAP-3 | V-ATPase Ac45 subunit | V-ATPase S1 accessory protein | V-ATPase subunit S1 | V-type proton ATPase subunit S1 | VAS1_HUMAN | VATPS1 | Vacuolar ATP synthase subunit S1 | Vacuolar proton pump subunit S1 | XAP3
Type:
PROTEIN
Mol. Mass.:
52022.67
Organism:
Homo sapiens (Human)
Description:
ChEMBL_215469
Residue:
470
Sequence:
MMAAMATARVRMGPRCAQALWRMPWLPVFLSLAAAAAAAAAEQQVPLVLWSSDRDLWAPAADTHEGHITSDLQLSTYLDPALELGPRNVLLFLQDKLSIEDFTAYGGVFGNKQDSAFSNLENALDLAPSSLVLPAVDWYAVSTLTTYLQEKLGASPLHVDLATLRELKLNASLPALLLIRLPYTASSGLMAPREVLTGNDEVIGQVLSTLKSEDVPYTAALTAVRPSRVARDVAVVAGGLGRQLLQKQPVSPVIHPPVSYNDTAPRILFWAQNFSVAYKDQWEDLTPLTFGVQELNLTGSFWNDSFARLSLTYERLFGTTVTFKFILANRLYPVSARHWFTMERLEVHSNGSVAYFNASQVTGPSIYSFHCEYVSSLSKKGSLLVARTQPSPWQMMLQDFQIQAFNVMGEQFSYASDCASFFSPGIWMGLLTSLFMLFIFTYGLHMILSLKTMDRFDDHKGPTISLTQIV
  
Inhibitor
Name:
BDBM50064438
Synonyms:
(2R,4R,5S,6R)-2-[(1S,2R,3S)-2-Hydroxy-3-((2R,9S,10S)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-oxacyclohexadec-2-yl)-1-methyl-butyl]-6-isopropyl-2-methoxy-5-methyl-tetrahydro-pyran-4-carboxylic acid phenyl ester | CHEMBL56614
Type:
Small organic molecule
Emp. Form.:
C43H72O10
Mol. Mass.:
749.0258
SMILES:
COC1CCCC(C)C[C@H](C)[C@H](O)C(C)CC(C)CC(OC)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@]1(C[C@H]([C@H](C)[C@H](O1)C(C)C)C(=O)Oc1ccccc1)OC
Structure:
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