Reaction Details Report a problem with these data
Target
V-type proton ATPase subunit S1
Ligand
BDBM50064437
Substrate
n/a
Meas. Tech.
ChEMBL_215471 (CHEMBL878966)
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:
BDBM50064437
Synonyms:
2-[3-(3,15-Dimethoxy-7,9,11,13-tetramethyl-10,16-dioxo-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)-2-hydroxy-1-methyl-butyl]-2-hydroxy-6-isopropyl-5-methyl-tetrahydro-pyran-4-carboxylic acid phenyl ester | CHEMBL57086
Type:
Small organic molecule
Emp. Form.:
C42H60O10
Mol. Mass.:
724.9198
SMILES:
CO[C@H]1\C=C\C=C(C)\C[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@H]([C@H](C)[C@H](O1)C(C)C)C(=O)Oc1ccccc1 |c:5,15,18,t:3|
Structure:
Search PDB for entries with ligand similarity: