Reaction Details Report a problem with these data
Target
Pantetheinase
Ligand
BDBM480919
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
0.430±n/a nM
Citation
 Casimiro-Garcia, A; Strohbach, JW; Hepworth, D; Lovering, FE; Choi, C; Allais, CP; Wright, SW Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme US Patent  US10906888 Publication Date 2/2/2021 
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:
BDBM480919
Synonyms:
US10906888, Example 133
Type:
Small organic molecule
Emp. Form.:
C20H24N6O3
Mol. Mass.:
396.443
SMILES:
O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(COC2)c2cncnc2)nc1
Structure:
Search PDB for entries with ligand similarity: