| Reaction Details |
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 | Report a problem with these data |
| Target | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 |
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| Ligand | BDBM50097557 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1500621 (CHEMBL3587751) |
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| Kd | 50000±n/a nM |
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| Citation |  De Ford, C; Calderón, C; Sehgal, P; Fedosova, NU; Murillo, R; Olesen, C; Nissen, P; Mĝller, JV; Merfort, I Discovery of Tricyclic Clerodane Diterpenes as Sarco/Endoplasmic Reticulum Ca(2+)-ATPase Inhibitors and Structure-Activity Relationships. J Nat Prod78:1262-70 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 |
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| Name: | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 |
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| Synonyms: | AT2A1_RABIT | ATP2A1 | Sarco/endoplasmic Reticulum Ca2+ ATPase 1 | Sarcoplasmic/endoplasmic reticulum calcium ATP-ase |
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| Type: | PROTEIN |
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| Mol. Mass.: | 110435.34 |
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| Organism: | Oryctolagus cuniculus |
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| Description: | ChEMBL_1500621 |
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| Residue: | 1001 |
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| Sequence: | MEAAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFEDL
LVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALK
EYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSIL
TGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMA
ATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAV
ALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQ
MSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALC
NDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMK
KEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGP
VKEKILSVIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGML
DPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDD
LPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAM
GSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAA
LGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAI
GGYVGAATVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMA
LSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLK
ALDLTQWLMVLKISLPVIGLDEILKFIARNYLEDPEDERRK
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| BDBM50097557 |
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| n/a |
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| Name | BDBM50097557 |
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| Synonyms: | CHEMBL3586100 |
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| Type | Small organic molecule |
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| Emp. Form. | C42H68O13 |
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| Mol. Mass. | 780.9815 |
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| SMILES | [H][C@@]12CC(C)(C)CC[C@@]11CO[C@@]22C=C[C@]3([H])[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@@](C)(CO)[C@]4([H])CC[C@@]3(C)[C@]2(C)C[C@H]1O |r,c:14| |
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| Structure | 
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