Reaction Details  Report a problem with these data
Target
Transitional endoplasmic reticulum ATPase
Ligand
BDBM50562854
Substrate
n/a
Meas. Tech.
ChEMBL_2080774 (CHEMBL4736565)
IC50
3400±n/a nM
Citation
 Zhang, G; Li, S; Wang, F; Jones, AC; Goldberg, AFG; Lin, B; Virgil, S; Stoltz, BM; Deshaies, RJ; Chou, TF A covalent p97/VCP ATPase inhibitor can overcome resistance to CB-5083 and NMS-873 in colorectal cancer cells. Eur J Med Chem 213:0 (2021) [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:
BDBM50562854
Synonyms:
CHEMBL4763993
Type:
Small organic molecule
Emp. Form.:
C16H12O
Mol. Mass.:
220.2659
SMILES:
Cc1ccc(cc1)C(=O)C#Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: