Target
Pantetheinase
Ligand
BDBM480931
Substrate
n/a
Meas. Tech.
ChEMBL_2162818 (CHEMBL5047679)
IC50
1.3±n/a nM
Citation
 Casimiro-Garcia, AAllais, CBrennan, AChoi, CDower, GFarley, KAFleming, MFlick, AFrisbie, RKHall, JHepworth, DJones, HKnafels, JDKortum, SLovering, FEMathias, JPMohan, SMorgan, PMParng, CParris, KPullen, NSchlerman, FStansfield, JStrohbach, JWVajdos, FFVincent, FWang, HWang, XWebster, RWright, SW Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1. J Med Chem 65:757-784 (2022) [PubMed]  Article 
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:
BDBM480931
Synonyms:
8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone | US10906888, Example 145
Type:
Small organic molecule
Emp. Form.:
C19H24N6O2
Mol. Mass.:
368.4329
SMILES:
C[C@H](Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1 |r|
Structure:
Search PDB for entries with ligand similarity: