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Target
Pantetheinase
Ligand
BDBM394659
Substrate
n/a
Meas. Tech.
Human Vanin-1 Enzyme Assay 1
IC50
1.70±n/a nM
Citation
 Casimiro-Garcia, A; Condon, JS; Flick, AC; Gopalsamy, A; Kirincich, SJ; Mathias, JP; Strobach, JW; Xiang, JS; Xing, LH; Wang, X Heterocyclic compounds as inhibitors of Vanin-1 enzyme US Patent  US10308615 Publication Date 6/4/2019 
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:
BDBM394659
Synonyms:
US10308615, Example 16 | preparation of (2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidin-5-yl)[3-(trifluoromethyl)phenyl]methanone
Type:
Small organic molecule
Emp. Form.:
C19H14F3N5O
Mol. Mass.:
385.3426
SMILES:
FC(F)(F)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Structure:
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