Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetPantetheinase
LigandBDBM480981
Substrate/Competitorn/a
Meas. Tech.Enzyme Assay
IC50 10.6±n/a nM
Citation Casimiro-Garcia, AStrohbach, JWHepworth, DLovering, FEChoi, CAllais, CPWright, SW Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme US Patent US10906888 Publication Date 2/2/2021
More Info.:Get all data from this article,  Assay Method
 
Pantetheinase
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:
MTTQLPAYVAILLFYVSRASCQDTFTAAVYEHAAILPNATLTPVSREEALALMNRNLDIL
EGAITSAADQGAHIIVTPEDAIYGWNFNRDSLYPYLEDIPDPEVNWIPCNNRNRFGQTPV
QERLSCLAKNNSIYVVANIGDKKPCDTSDPQCPPDGRYQYNTDVVFDSQGKLVARYHKQN
LFMGENQFNVPKEPEIVTFNTTFGSFGIFTCFDILFHDPAVTLVKDFHVDTIVFPTAWMN
VLPHLSAVEFHSAWAMGMRVNFLASNIHYPSKKMTGSGIYAPNSSRAFHYDMKTEEGKLL
LSQLDSHPSHSAVVNWTSYASSIEALSSGNKEFKGTVFFDEFTFVKLTGVAGNYTVCQKD
LCCHLSYKMSENIPNEVYALGAFDGLHTVEGRYYLQICTLLKCKTTNLNTCGDSAETAST
RFEMFSLSGTFGTQYVFPEVLLSENQLAPGEFQVSTDGRLFSLKPTSGPVLTVTLFGRLY
EKDWASNASSGLTAQARIIMLIVIAPIVCSLSW
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM480981
n/a
NameBDBM480981
Synonyms:US10906888, Example 198 | US10906888, Example 199 | US10906888, Example 200
TypeSmall organic molecule
Emp. Form.C18H22N6O3S
Mol. Mass.402.471
SMILESCS(=O)(=O)C1CCCN(C1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: