Target
Pantetheinase
Ligand
BDBM395044
Substrate
n/a
Meas. Tech.
Human Vanin-1 Enzyme Assay 3
IC50
<16.5±n/a nM
Citation
 Casimiro-Garcia, ACondon, JSFlick, ACGopalsamy, AKirincich, SJMathias, JPStrobach, JWXiang, JSXing, LHWang, 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:
BDBM395044
Synonyms:
US10308615, Example 55 | {2-[(4- methoxybenzyl) amino]pyrimidin-5- yl}[4- (trifluoromethyl) phenyl]methanone
Type:
Small organic molecule
Emp. Form.:
C20H16F3N3O2
Mol. Mass.:
387.3551
SMILES:
COc1ccc(CNc2ncc(cn2)C(=O)c2ccc(cc2)C(F)(F)F)cc1
Structure:
Search PDB for entries with ligand similarity: