Reaction Details Report a problem with these data
Target
Transitional endoplasmic reticulum ATPase
Ligand
BDBM478258
Substrate
n/a
Meas. Tech.
Biomol Green Assay
IC50
30.0±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:
BDBM478258
Synonyms:
US10894782, No 111
Type:
Small organic molecule
Emp. Form.:
C40H50N6O5S
Mol. Mass.:
726.927
SMILES:
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CCOC(=O)NCCOCCNC(=O)CC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |r,wU:43.47,wD:47.56,45.49,49.54,THB:42:49:46:44.51.43,(3.59,3.19,;3.98,4.68,;5.47,5.08,;5.87,6.56,;7.36,6.96,;8.45,5.87,;9.93,6.27,;10.49,7.71,;12.02,7.63,;12.42,6.14,;13.86,5.59,;15.06,6.56,;16.55,6.17,;17.38,7.46,;16.41,8.65,;14.97,8.1,;11.13,5.3,;11.05,3.76,;9.68,3.07,;9.6,1.53,;10.89,.69,;12.26,1.39,;12.34,2.93,;4.78,7.65,;3.29,7.25,;2.89,5.77,;1.41,5.37,;-.08,4.97,;-1.57,4.57,;-1.97,3.08,;-3.45,2.68,;-4.54,3.77,;-3.85,1.2,;-5.34,.8,;-5.74,-.69,;-7.23,-1.09,;-7.62,-2.58,;-9.11,-2.97,;-9.51,-4.46,;-11,-4.86,;-12.09,-3.77,;-11.4,-6.35,;-12.94,-6.71,;-14.46,-7.5,;-15.13,-8.65,;-16.67,-8.65,;-17.38,-7.29,;-16.55,-6.35,;-15.19,-5.64,;-14.48,-6.64,;-15.34,-7.98,;-15.17,-6.5,)|
Structure:
Search PDB for entries with ligand similarity: