| Reaction Details |
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 | Report a problem with these data |
| Target | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 |
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| Ligand | BDBM50409816 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1500495 (CHEMBL3587395) |
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| IC50 | 16900±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_RAT | Atp2a1 | Calcium pump 1 | Calcium-transporting ATPase sarcoplasmic reticulum type, fast twitch skeletal muscle isoform | Endoplasmic reticulum class 1/2 Ca(2+) ATPase | SERCA1 | SR Ca(2+)-ATPase 1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 109386.62 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_109814 |
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| Residue: | 994 |
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| Sequence: | MEAAHSKSTEECLSYFGVSETTGLTPDQVKRHLEKYGPNELPAEEGKSLWELVVEQFEDL
LVRILLLAACISFVLAWFEEGEETVTAFVEPFVILLILIANAIVGVWQERNAENAIEALK
EYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSIL
TGESVSVIKHTDPVPDPRAVNQDKKNMLFSGTNIAAGKAVGIVATTGVSTEIGKIRDQMA
ATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWFRGAIYYFKIAV
ALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQ
MSVCKMFIIDKVDGDICSLNEFSITGSTYAPEGEVLKNDKPVRAGQYDGLVELATICALC
NDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRSLSKVERANACNSVIRQLMK
KEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPLTGP
VKEKIMSVIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSAKFMEYEMDLTFVGVVGML
DPPRKEVTGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFSENEEVADRAYTGREFDD
LPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAM
GSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAA
LGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAI
GGYVGAATVGAAAWWFLYAEDGPHVSYHQLTHFMQCTEHNPEFDGLDCEVFEAPEPMTMA
LSVLVTIEMCNALNSLSENQSLLRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLR
ALDFTQWLMVLKISLPVIGLDELLKFIARNYLEG
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| BDBM50409816 |
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| n/a |
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| Name | BDBM50409816 |
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| Synonyms: | ABAMECTIN |
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| Type | Small organic molecule |
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| Emp. Form. | C48H74O14 |
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| Mol. Mass. | 875.0928 |
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| SMILES | CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46| |
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| Structure | 
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