Reaction Details |
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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 |
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 |
Type: | PROTEIN |
Mol. Mass.: | 109386.62 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_109814 |
Residue: | 994 |
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 |
Synonyms: | ABAMECTIN |
Type | Small organic molecule |
Emp. Form. | C48H74O14 |
Mol. Mass. | 875.0928 |
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| |
Structure |
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