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Target
Pantetheinase
Ligand
BDBM475894
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
4.90±n/a nM
Citation
 Godbout, C; Fleck, MT; Koolman, HF Heteroaromatic compounds as Vanin inhibitors US Patent  US10864201 Publication Date 12/15/2020 
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:
BDBM475894
Synonyms:
US10864201, Ex. 11.7
Type:
Small organic molecule
Emp. Form.:
C21H27N5O2
Mol. Mass.:
381.4714
SMILES:
CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCc2c1)C(=O)C1(CC1)C#N |r|
Structure:
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