(3S,3aR,4S,6S,6aR,7S,8S,9R,9aS,9bS)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate
B6CAM1 — Calcium-transporting ATPase
Attributes
UniProt ID
Protein Name
Calcium-transporting ATPase
Ligand Name
(3S,3aR,4S,6S,6aR,7S,8S,9R,9aS,9bS)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
None
PubChem ID
n/a
InChIKey
MJLFQZMEQWPDGU-UKQHJVOGSA-N
SMILES
CCCCCCCC(=O)OC1C2C(C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCCc4ccc(c(c4)CCCCCCNC(=O)OC(C)(C)C)O)(C(C(=O)O3)(C)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available