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Target
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
Ligand
BDBM50409816
Substrate
n/a
Meas. Tech.
ChEMBL_1500496 (CHEMBL3587396)
IC50
6720±n/a nM
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 Prod 78:1262-70 (2015) [PubMed]  Article 
Target
Name:
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
Synonyms:
AT2A2_RAT | Atp2a2 | Calcium pump 2 | Calcium-transporting ATPase sarcoplasmic reticulum type, slow twitch skeletal muscle isoform | Endoplasmic reticulum class 1/2 Ca(2+) ATPase | SERCA2 | SR Ca(2+)-ATPase 2 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
Type:
PROTEIN
Mol. Mass.:
114748.59
Organism:
Rattus norvegicus
Description:
ChEMBL_109815
Residue:
1043
Sequence:
MENAHTKTVEEVLGHFGVNESTGLSLEQVKKLKERWGSNELPAEEGKTLLELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILVANAIVGVWQERNAENAIEALKEYEPEMGKVYRQDRKSVQRIKAKDIVPGDIVEIAVGDKVPADIRLTSIKSTTLRVDQSILTGESVSVIKHTDPVPDPRAVNQDKKNMLFSGTNIAAGKAMGVVVATGVNTEIGKIRDEMVATEQERTPLQQKLDEFGEQLSKVISLICIAVWIINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCRMFILDKVEGDTCSLNEFTITGSTYAPIGEVQKDDKPVKCHQYDGLVELATICALCNDSALDYNEAKGVYEKVGEATETALTCLVEKMNVFDTELKGLSKIERANACNSVIKQLMKKEFTLEFSRDRKSMSVYCTPNKPSRTSMSKMFVKGAPEGVIDRCTHIRVGSTKVPMTPGVKQKIMSVIREWGSGSDTLRCLALATHDNPLRREEMHLEDSANFIKYETNLTFVGCVGMLDPPRIEVASSVKLCRQAGIRVIMITGDNKGTAVAICRRIGIFGQDEDVTSKAFTGREFDELSPSAQRDACLNARCFARVEPSHKSKIVEFLQSFDEITAMTGDGVNDAPALKKSEIGIAMGSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAALGFPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMNKPPRNPKEPLISGWLFFRYLAIGCYVGAATVGAAAWWFIAADGGPRVSFYQLSHFLQCKEDNPDFEGVDCAIFESPYPMTMALSVLVTIEMCNALNSLSENQSLLRMPPWENIWLVGSICLSMSLHFLILYVEPLPLIFQITPLNLTQWLMVLKISLPVILMDETLKFVARNYLEPGKECAQPATKPSCSLSACTDGISWPFVLLIMPLVVWVYSTDTNFSDMFWS
  
Inhibitor
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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