Reaction Details |
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Target | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 |
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Ligand | BDBM50527067 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1902003 (CHEMBL4404225) |
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IC50 | 610±n/a nM |
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Citation | Peterková, L; Kmoní?ková, E; Ruml, T; Rimpelová, S Sarco/Endoplasmic Reticulum Calcium ATPase Inhibitors: Beyond Anticancer Perspective. J Med Chem63:1937-1963 (2020) [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_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: | MEAAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFEDL
LVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALK
EYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSIL
TGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMA
ATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAV
ALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQ
MSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALC
NDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMK
KEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGP
VKEKILSVIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGML
DPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDD
LPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAM
GSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAA
LGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAI
GGYVGAATVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMA
LSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLK
ALDLTQWLMVLKISLPVIGLDEILKFIARNYLEDPEDERRK
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BDBM50527067 |
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n/a |
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Name | BDBM50527067 |
Synonyms: | CHEMBL4531692 |
Type | Small organic molecule |
Emp. Form. | C132H211N35O28 |
Mol. Mass. | 2736.3054 |
SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(N)=O |r| |
Structure |
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