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Target
Transitional endoplasmic reticulum ATPase
Ligand
BDBM478257
Substrate
n/a
Meas. Tech.
Biomol Green Assay
IC50
60.0±n/a nM
Citation
 Huryn, DM; Wipf, P; LaPorte, MG Modulators of P97 AAA ATPase activity US Patent  US10894782 Publication Date 1/19/2021 
Target
Name:
Transitional endoplasmic reticulum ATPase
Synonyms:
TERA_HUMAN | Transitional endoplasmic reticulum ATPase | VCP | Valosin containing protein, p97 subunit | Valosin-containing protein
Type:
Enzyme
Mol. Mass.:
89300.63
Organism:
Homo sapiens (Human)
Description:
P55072
Residue:
806
Sequence:
MASGADSKGDDLSTAILKQKNRPNRLIVDEAINEDNSVVSLSQPKMDELQLFRGDTVLLKGKKRREAVCIVLSDDTCSDEKIRMNRVVRNNLRVRLGDVISIQPCPDVKYGKRIHVLPIDDTVEGITGNLFEVYLKPYFLEAYRPIRKGDIFLVRGGMRAVEFKVVETDPSPYCIVAPDTVIHCEGEPIKREDEEESLNEVGYDDIGGCRKQLAQIKEMVELPLRHPALFKAIGVKPPRGILLYGPPGTGKTLIARAVANETGAFFFLINGPEIMSKLAGESESNLRKAFEEAEKNAPAIIFIDELDAIAPKREKTHGEVERRIVSQLLTLMDGLKQRAHVIVMAATNRPNSIDPALRRFGRFDREVDIGIPDATGRLEILQIHTKNMKLADDVDLEQVANETHGHVGADLAALCSEAALQAIRKKMDLIDLEDETIDAEVMNSLAVTMDDFRWALSQSNPSALRETVVEVPQVTWEDIGGLEDVKRELQELVQYPVEHPDKFLKFGMTPSKGVLFYGPPGCGKTLLAKAIANECQANFISIKGPELLTMWFGESEANVREIFDKARQAAPCVLFFDELDSIAKARGGNIGDGGGAADRVINQILTEMDGMSTKKNVFIIGATNRPDIIDPAILRPGRLDQLIYIPLPDEKSRVAILKANLRKSPVAKDVDLEFLAKMTNGFSGADLTEICQRACKLAIRESIESEIRRERERQTNPSAMEVEEDDPVPEIRRDHFEEAMRFARRSVSDNDIRKYEMFAQTLQQSRGFGSFRFPSGNQGGAGPSQGSGGGTGGSVYTEDNDDDLYG
  
Inhibitor
Name:
BDBM478257
Synonyms:
US10894782, No 110
Type:
Small organic molecule
Emp. Form.:
C38H46N6O4S
Mol. Mass.:
682.875
SMILES:
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCOC(=O)NCCNC(=O)CC1[C@H]2CC3C[C@@H](C[C@H]1C3)C2 |r,wU:40.54,wD:44.53,46.51,THB:43:44:42.41.47:39,43:42:48.44.45:39,(.81,3.2,;1.2,4.69,;2.69,5.08,;3.09,6.57,;4.58,6.97,;5.67,5.88,;7.15,6.28,;7.71,7.72,;9.24,7.64,;9.64,6.15,;11.08,5.6,;12.28,6.57,;13.77,6.17,;14.6,7.47,;13.63,8.66,;12.19,8.1,;8.35,5.31,;8.27,3.77,;6.9,3.07,;6.82,1.54,;8.11,.7,;9.48,1.4,;9.56,2.93,;2,7.66,;.51,7.26,;.12,5.77,;-1.37,5.38,;-2.86,4.98,;-4.35,4.58,;-4.75,3.09,;-6.23,2.69,;-7.32,3.78,;-6.63,1.2,;-8.12,.81,;-8.52,-.68,;-10.01,-1.08,;-10.4,-2.57,;-9.32,-3.66,;-11.89,-2.97,;-12.29,-4.45,;-12.29,-6.26,;-11.52,-7.33,;-12.29,-8.53,;-13.83,-8.66,;-14.6,-7.33,;-14.6,-5.79,;-13.06,-5.79,;-12.29,-7.12,;-13.83,-6.31,)|
Structure:
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