Ki Summary

Reaction Details

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Target

Transitional endoplasmic reticulum ATPase

Ligand

BDBM50040519

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1443970 (CHEMBL3375358)

IC50

5165±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

BDBM50040519

n/a

Name

BDBM50040519

Synonyms:

CHEMBL3361208

Type

Small organic molecule

Emp. Form.

C25H30N6O3S

Mol. Mass.

494.609

SMILES

NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccc(cc3)S(N)(=O)=O)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(17.94,-50.49,;16.6,-51.26,;16.6,-52.8,;15.27,-50.49,;13.94,-51.26,;12.6,-50.49,;12.6,-48.95,;11.27,-48.18,;9.94,-48.95,;8.6,-48.18,;8.6,-46.64,;7.27,-45.87,;7.27,-44.33,;8.6,-43.56,;8.6,-42.02,;7.27,-41.25,;7.27,-39.71,;8.6,-38.94,;9.94,-39.71,;9.94,-41.25,;8.6,-37.4,;7.27,-36.63,;10.14,-37.4,;9.69,-36.31,;5.93,-46.64,;5.93,-48.18,;7.27,-48.95,;4.6,-48.95,;4.6,-50.49,;3.27,-51.26,;1.93,-50.49,;1.93,-48.95,;3.27,-48.18,;13.94,-48.18,;15.27,-48.95,)|

Structure