Reaction Details Report a problem with these data
Target
Pantetheinase [22-493]
Ligand
BDBM510537
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
0.200±n/a nM
Citation
 Fleck, MT; Godbout, C; Koolman, HF Heteroaromatic compounds as Vanin inhibitors US Patent  US11078182 Publication Date 8/3/2021 
Target
Name:
Pantetheinase [22-493]
Synonyms:
Pantetheinase (VNN1)(22-493) | VNN1 | VNN1_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
52490.93
Organism:
Homo sapiens (Human)
Description:
aa 22-493
Residue:
472
Sequence:
QDTFTAAVYEHAAILPNATLTPVSREEALALMNRNLDILEGAITSAADQGAHIIVTPEDAIYGWNFNRDSLYPYLEDIPDPEVNWIPCNNRNRFGQTPVQERLSCLAKNNSIYVVANIGDKKPCDTSDPQCPPDGRYQYNTDVVFDSQGKLVARYHKQNLFMGENQFNVPKEPEIVTFNTTFGSFGIFTCFDILFHDPAVTLVKDFHVDTIVFPTAWMNVLPHLSAVEFHSAWAMGMRVNFLASNIHYPSKKMTGSGIYAPNSSRAFHYDMKTEEGKLLLSQLDSHPSHSAVVNWTSYASSIEALSSGNKEFKGTVFFDEFTFVKLTGVAGNYTVCQKDLCCHLSYKMSENIPNEVYALGAFDGLHTVEGRYYLQICTLLKCKTTNLNTCGDSAETASTRFEMFSLSGTFGTQYVFPEVLLSENQLAPGEFQVSTDGRLFSLKPTSGPVLTVTLFGRLYEKDWASNASSGLT
  
Inhibitor
Name:
BDBM510537
Synonyms:
US11078182, Ex. 3.1
Type:
Small organic molecule
Emp. Form.:
C18H28N4O3
Mol. Mass.:
348.4399
SMILES:
CN([C@H]1CCN(C1)C(=O)c1ccc(NC(C)(C)CCO)nc1)C(C)=O |r|
Structure:
Search PDB for entries with ligand similarity: