Ki Summary

Reaction Details

Report a problem with these data

Target

Transitional endoplasmic reticulum ATPase

Ligand

BDBM50040563

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1443970 (CHEMBL3375358)

IC50

742±n/a nM

Citation

Cervi, G; Magnaghi, P; Asa, D; Avanzi, N; Badari, A; Borghi, D; Caruso, M; Cirla, A; Cozzi, L; Felder, E; Galvani, A; Gasparri, F; Lomolino, A; Magnuson, S; Malgesini, B; Motto, I; Pasi, M; Rizzi, S; Salom, B; Sorrentino, G; Troiani, S; Valsasina, B; O'Brien, T; Isacchi, A; Donati, D; D'Alessio, R Discovery of 2-(cyclohexylmethylamino)pyrimidines as a new class of reversible valosine containing protein inhibitors. J Med Chem57:10443-54 (2014) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Transitional endoplasmic reticulum ATPase

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:

MASGADSKGDDLSTAILKQKNRPNRLIVDEAINEDNSVVSLSQPKMDELQLFRGDTVLLK
GKKRREAVCIVLSDDTCSDEKIRMNRVVRNNLRVRLGDVISIQPCPDVKYGKRIHVLPID
DTVEGITGNLFEVYLKPYFLEAYRPIRKGDIFLVRGGMRAVEFKVVETDPSPYCIVAPDT
VIHCEGEPIKREDEEESLNEVGYDDIGGCRKQLAQIKEMVELPLRHPALFKAIGVKPPRG
ILLYGPPGTGKTLIARAVANETGAFFFLINGPEIMSKLAGESESNLRKAFEEAEKNAPAI
IFIDELDAIAPKREKTHGEVERRIVSQLLTLMDGLKQRAHVIVMAATNRPNSIDPALRRF
GRFDREVDIGIPDATGRLEILQIHTKNMKLADDVDLEQVANETHGHVGADLAALCSEAAL
QAIRKKMDLIDLEDETIDAEVMNSLAVTMDDFRWALSQSNPSALRETVVEVPQVTWEDIG
GLEDVKRELQELVQYPVEHPDKFLKFGMTPSKGVLFYGPPGCGKTLLAKAIANECQANFI
SIKGPELLTMWFGESEANVREIFDKARQAAPCVLFFDELDSIAKARGGNIGDGGGAADRV
INQILTEMDGMSTKKNVFIIGATNRPDIIDPAILRPGRLDQLIYIPLPDEKSRVAILKAN
LRKSPVAKDVDLEFLAKMTNGFSGADLTEICQRACKLAIRESIESEIRRERERQTNPSAM
EVEEDDPVPEIRRDHFEEAMRFARRSVSDNDIRKYEMFAQTLQQSRGFGSFRFPSGNQGG
AGPSQGSGGGTGGSVYTEDNDDDLYG

BDBM50040563

n/a

Name

BDBM50040563

Synonyms:

CHEMBL3361172

Type

Small organic molecule

Emp. Form.

C24H24FN3O2

Mol. Mass.

405.4647

SMILES

OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccc(F)cc2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(59.27,-54.94,;57.94,-55.71,;57.94,-57.25,;56.61,-54.94,;55.27,-55.71,;53.94,-54.94,;53.94,-53.4,;52.61,-52.63,;51.27,-53.4,;49.94,-52.63,;49.94,-51.09,;48.61,-50.32,;47.27,-51.09,;47.27,-52.63,;48.61,-53.4,;45.94,-53.4,;45.94,-54.94,;44.61,-55.71,;43.27,-54.94,;41.93,-55.71,;43.27,-53.4,;44.61,-52.63,;48.61,-48.78,;47.27,-48.01,;47.27,-46.47,;48.61,-45.7,;49.94,-46.47,;49.94,-48.01,;55.27,-52.63,;56.61,-53.4,)|

Structure