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Target
Palmitoleoyl-protein carboxylesterase NOTUM
Ligand
BDBM50583122
Substrate
n/a
Meas. Tech.
ChEMBL_2156569 (CHEMBL5041229)
IC50
4.0±n/a nM
Citation
 Steadman, D; Atkinson, BN; Zhao, Y; Willis, NJ; Frew, S; Monaghan, A; Patel, C; Armstrong, E; Costelloe, K; Magno, L; Bictash, M; Jones, EY; Fish, PV; Svensson, F Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity. J Med Chem 65:562-578 (2022) [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:
BDBM50583122
Synonyms:
CHEMBL5078659
Type:
Small organic molecule
Emp. Form.:
C12H7F3N4O2S
Mol. Mass.:
328.27
SMILES:
FC(F)(F)Oc1cccc(Sc2ccc3n[nH]c(=O)n3n2)c1
Structure:
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