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Target
Palmitoleoyl-protein carboxylesterase NOTUM
Ligand
BDBM50583101
Substrate
n/a
Meas. Tech.
ChEMBL_2156569 (CHEMBL5041229)
IC50
8.5±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:
BDBM50583101
Synonyms:
CHEMBL5088670
Type:
Small organic molecule
Emp. Form.:
C17H15NO3
Mol. Mass.:
281.3059
SMILES:
Cc1ccc(\C=C2\N=C(OC2=O)c2ccc(C)c(C)c2)o1 |c:7|
Structure:
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