Reaction Details Report a problem with these data
Target
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
Ligand
BDBM50326748
Substrate
n/a
Meas. Tech.
ChEMBL_661606 (CHEMBL1251540)
IC50
0.8±n/a nM
Citation
 Skytte, DM; Møller, JV; Liu, H; Nielsen, HØ; Svenningsen, LE; Jensen, CM; Olsen, CE; Christensen, SB Elucidation of the topography of the thapsigargin binding site in the sarco-endoplasmic calcium ATPase. Bioorg Med Chem 18:5634-46 (2010) [PubMed]  Article 
Target
Name:
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
Synonyms:
AT2A1_RABIT | ATP2A1 | Sarco/endoplasmic Reticulum Ca2+ ATPase 1 | Sarcoplasmic/endoplasmic reticulum calcium ATP-ase
Type:
PROTEIN
Mol. Mass.:
110435.34
Organism:
Oryctolagus cuniculus
Description:
ChEMBL_1500621
Residue:
1001
Sequence:
MEAAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALKEYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAMGSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAIGGYVGAATVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMALSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLKALDLTQWLMVLKISLPVIGLDEILKFIARNYLEDPEDERRK
  
Inhibitor
Name:
BDBM50326748
Synonyms:
(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyryloxy)-3,3a-dihydroxy-3,6,9-trimethyl-7-(octanoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-8-yl benzoate | CHEMBL1253591
Type:
Small organic molecule
Emp. Form.:
C36H48O12
Mol. Mass.:
672.7591
SMILES:
CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:23|
Structure:
Search PDB for entries with ligand similarity: