Reaction Details |
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Target | Pantetheinase |
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Ligand | BDBM395054 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2162813 (CHEMBL5047674) |
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IC50 | 22±n/a nM |
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Citation | Casimiro-Garcia, A; Allais, C; Brennan, A; Choi, C; Dower, G; Farley, KA; Fleming, M; Flick, A; Frisbie, RK; Hall, J; Hepworth, D; Jones, H; Knafels, JD; Kortum, S; Lovering, FE; Mathias, JP; Mohan, S; Morgan, PM; Parng, C; Parris, K; Pullen, N; Schlerman, F; Stansfield, J; Strohbach, JW; Vajdos, FF; Vincent, F; Wang, H; Wang, X; Webster, R; Wright, SW Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1. J Med Chem65:757-784 (2022) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Pantetheinase |
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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
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BDBM395054 |
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n/a |
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Name | BDBM395054 |
Synonyms: | 3-({2-[(1- phenylcyclopropyl) amino]pyrimidin- 5- yl}carbonyl) benzonitrile | US10308615, Example 65 |
Type | Small organic molecule |
Emp. Form. | C21H16N4O |
Mol. Mass. | 340.3779 |
SMILES | O=C(c1cccc(c1)C#N)c1cnc(NC2(CC2)c2ccccc2)nc1 |
Structure |
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