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Target
Pantetheinase
Ligand
BDBM480933
Substrate
n/a
Meas. Tech.
ChEMBL_2162813 (CHEMBL5047674)
IC50
0.600000±n/a nM
Citation
 Casimiro-Garcia, A; Allais, C; Brennan, A; Choi, C; Dower, G; Farley, KA; Fleming, M; Flick, A; Frisbie, RK; Hall, J; Hepworth, D; Jones, H; Knafels, JD; Kortum, S; Lovering, FE; Mathias, JP; Mohan, S; Morgan, PM; Parng, C; Parris, K; Pullen, N; Schlerman, F; Stansfield, J; Strohbach, JW; Vajdos, FF; Vincent, F; Wang, H; Wang, X; Webster, R; Wright, SW Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1. J Med Chem 65:757-784 (2022) [PubMed]  Article 
Target
Name:
Pantetheinase
Synonyms:
Pantetheine hydrolase | Tiff66 | VNN1 | VNN1_HUMAN | Vanin-1 | Vascular non-inflammatory molecule 1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
57002.46
Organism:
Homo sapiens (Human)
Description:
O95497
Residue:
513
Sequence:
MTTQLPAYVAILLFYVSRASCQDTFTAAVYEHAAILPNATLTPVSREEALALMNRNLDILEGAITSAADQGAHIIVTPEDAIYGWNFNRDSLYPYLEDIPDPEVNWIPCNNRNRFGQTPVQERLSCLAKNNSIYVVANIGDKKPCDTSDPQCPPDGRYQYNTDVVFDSQGKLVARYHKQNLFMGENQFNVPKEPEIVTFNTTFGSFGIFTCFDILFHDPAVTLVKDFHVDTIVFPTAWMNVLPHLSAVEFHSAWAMGMRVNFLASNIHYPSKKMTGSGIYAPNSSRAFHYDMKTEEGKLLLSQLDSHPSHSAVVNWTSYASSIEALSSGNKEFKGTVFFDEFTFVKLTGVAGNYTVCQKDLCCHLSYKMSENIPNEVYALGAFDGLHTVEGRYYLQICTLLKCKTTNLNTCGDSAETASTRFEMFSLSGTFGTQYVFPEVLLSENQLAPGEFQVSTDGRLFSLKPTSGPVLTVTLFGRLYEKDWASNASSGLTAQARIIMLIVIAPIVCSLSW
  
Inhibitor
Name:
BDBM480933
Synonyms:
US10906888, Example 147
Type:
Small organic molecule
Emp. Form.:
C18H22N6O2
Mol. Mass.:
354.4063
SMILES:
C[C@H](Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2)c1cnccn1 |r|
Structure:
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