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Target
Transitional endoplasmic reticulum ATPase
Ligand
BDBM50468115
Substrate
n/a
Meas. Tech.
ChEMBL_1798112 (CHEMBL4270229)
IC50
180±n/a nM
Citation
 LaPorte, MG; Burnett, JC; Colombo, R; Bulfer, SL; Alverez, C; Chou, TF; Neitz, RJ; Green, N; Moore, WJ; Yue, Z; Li, S; Arkin, MR; Wipf, P; Huryn, DM Optimization of Phenyl Indole Inhibitors of the AAA+ ATPase p97. ACS Med Chem Lett 9:1075-1081 (2018) [PubMed]  Article 
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:
BDBM50468115
Synonyms:
CHEMBL4278176 | US11247985, Table 3.117
Type:
Small organic molecule
Emp. Form.:
C28H36FN3
Mol. Mass.:
433.6039
SMILES:
CC(C)N1CCC(CC1)N[C@H]1CC[C@@H](CC1)c1cccc(c1)-c1cc2cc(F)ccc2[nH]1 |r,wU:13.17,wD:10.10,(52.21,-2.26,;51.43,-3.58,;52.19,-4.92,;49.89,-3.58,;49.13,-2.23,;47.59,-2.23,;46.81,-3.53,;47.56,-4.87,;49.1,-4.87,;45.28,-3.53,;44.49,-4.83,;42.95,-4.83,;42.18,-6.15,;42.94,-7.49,;44.47,-7.49,;45.26,-6.18,;42.16,-8.82,;42.93,-10.16,;42.16,-11.49,;40.62,-11.49,;39.85,-10.14,;40.62,-8.82,;38.31,-10.14,;37.41,-11.4,;35.94,-10.92,;34.6,-11.68,;33.27,-10.91,;31.94,-11.69,;33.27,-9.37,;34.6,-8.59,;35.94,-9.37,;37.41,-8.89,)|
Structure:
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