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Target
Transitional endoplasmic reticulum ATPase
Ligand
BDBM46555
Substrate
n/a
Meas. Tech.
Dose response biochemical high throughput screening assay for inhibitors of the p97 ATPase
IC50
5386±n/a nM
Citation
 PubChem, PC Dose response biochemical high throughput screening assay for inhibitors of the p97 ATPase PubChem Bioassay (2009)[AID] 
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:
BDBM46555
Synonyms:
GOSSYPOL ACETATE | MLS000028630 | SMR000058743 | acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-yl-2-naphthalenyl)-2,3,8-trihydroxy-6-methyl-4-propan-2-yl-1-naphthalenecarboxaldehyde | acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde | acetic acid;7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde | cid_227456 | ethanoic acid;7-[8-methanoyl-3-methyl-1,6,7-tris(oxidanyl)-5-propan-2-yl-naphthalen-2-yl]-6-methyl-2,3,8-tris(oxidanyl)-4-propan-2-yl-naphthalene-1-carbaldehyde | gossypol acetic acid
Type:
Small organic molecule
Emp. Form.:
C30H30O8
Mol. Mass.:
518.5544
SMILES:
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(2.16,17.15,;3.49,16.38,;4.83,17.15,;3.49,14.84,;2.16,14.07,;.83,14.84,;2.16,12.53,;.83,11.76,;3.49,11.76,;3.49,10.22,;2.16,9.45,;4.83,12.53,;6.2,11.71,;6.19,10.17,;7.6,12.5,;7.6,14.1,;8.93,14.88,;6.2,14.9,;4.83,14.07,;8.93,11.72,;8.93,10.12,;7.6,9.35,;10.33,9.33,;11.7,10.15,;13.04,9.38,;13.04,7.84,;14.37,7.07,;11.7,7.07,;14.37,10.15,;15.7,9.38,;14.37,11.69,;15.7,12.46,;13.04,12.46,;13.04,14,;14.37,14.77,;11.7,11.69,;10.33,12.52,;10.34,14.06,)|
Structure:
Search PDB for entries with ligand similarity: