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Target
Palmitoleoyl-protein carboxylesterase NOTUM
Ligand
BDBM50543230
Substrate
n/a
Meas. Tech.
ChEMBL_1988736 (CHEMBL4622283)
IC50
280±n/a nM
Citation
 Mahy, W; Patel, M; Steadman, D; Woodward, HL; Atkinson, BN; Svensson, F; Willis, NJ; Flint, A; Papatheodorou, D; Zhao, Y; Vecchia, L; Ruza, RR; Hillier, J; Frew, S; Monaghan, A; Costa, A; Bictash, M; Walter, MW; Jones, EY; Fish, PV Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J Med Chem 63:9464-9483 (2020) [PubMed]  Article
Target
Name:
Palmitoleoyl-protein carboxylesterase NOTUM
Synonyms:
NOTUM | NOTUM_HUMAN | Palmitoleoyl-protein carboxylesterase NOTUM | hNOTUM
Type:
PROTEIN
Mol. Mass.:
55706.36
Organism:
Homo sapiens (Human)
Description:
ChEMBL_116492
Residue:
496
Sequence:
MGRGVRVLLLLSLLHCAGGSEGRKTWRRRGQQPPPPPRTEAAPAAGQPVESFPLDFTAVEGNMDSFMAQVKSLAQSLYPCSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRCPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTVRDQFTGQEMNVAQFLMHMGFDMQTVAQPQGLEPSELLGMLSNGS
  
Inhibitor
Name:
BDBM50543230
Synonyms:
CHEMBL4632764
Type:
Small organic molecule
Emp. Form.:
C12H11ClF3NO2
Mol. Mass.:
293.669
SMILES:
OC(=O)[C@@H]1CCN(C1)c1ccc(Cl)c(c1)C(F)(F)F |r|
Structure:
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