Reaction Details Report a problem with these data
Target
Transitional endoplasmic reticulum ATPase
Ligand
BDBM536771
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
92.0±n/a nM
Citation
 Huryn, DM; Wipf, P; LaPorte, MG; Colombo, R; Kovaliov, M; Lim, C; Alverez, CN; Yue, Z; Samankumara, LP; Chatterley, AJ; Yan, Y; Liang, M; Green, NJ; Baldwin, ET; Moore, WJ; Arkin, M; Neitz, RJ; Ang, K; Bryant, C; Bulfer, S Phenyl indole allosteric inhibitors of P97 ATPase US Patent  US11247985 Publication Date 2/15/2022 
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:
BDBM536771
Synonyms:
US11247985, Table 3.75
Type:
Small organic molecule
Emp. Form.:
C27H35ClN4
Mol. Mass.:
451.047
SMILES:
CC(C)N1CCC(CC1)NC1CCN(CC1)c1cccc(c1)-c1cc2cc(Cl)ccc2[nH]1
Structure:
Search PDB for entries with ligand similarity: