| Reaction Details |
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 | Report a problem with these data |
| Target | Pantetheinase |
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| Ligand | BDBM394652 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Human Vanin-1 Enzyme Assay 1 |
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| IC50 | 10.3±n/a nM |
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| Citation |  Casimiro-Garcia, A; Condon, JS; Flick, AC; Gopalsamy, A; Kirincich, SJ; Mathias, JP; Strobach, JW; Xiang, JS; Xing, LH; Wang, X Heterocyclic compounds as inhibitors of Vanin-1 enzyme US Patent US10308615 Publication Date 6/4/2019 |
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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 |
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| Synonyms: | Pantetheine hydrolase | Tiff66 | VNN1 | VNN1_HUMAN | Vanin-1 | Vascular non-inflammatory molecule 1 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 57002.46 |
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| Organism: | Homo sapiens (Human) |
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| Description: | O95497 |
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| Residue: | 513 |
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| Sequence: | MTTQLPAYVAILLFYVSRASCQDTFTAAVYEHAAILPNATLTPVSREEALALMNRNLDIL
EGAITSAADQGAHIIVTPEDAIYGWNFNRDSLYPYLEDIPDPEVNWIPCNNRNRFGQTPV
QERLSCLAKNNSIYVVANIGDKKPCDTSDPQCPPDGRYQYNTDVVFDSQGKLVARYHKQN
LFMGENQFNVPKEPEIVTFNTTFGSFGIFTCFDILFHDPAVTLVKDFHVDTIVFPTAWMN
VLPHLSAVEFHSAWAMGMRVNFLASNIHYPSKKMTGSGIYAPNSSRAFHYDMKTEEGKLL
LSQLDSHPSHSAVVNWTSYASSIEALSSGNKEFKGTVFFDEFTFVKLTGVAGNYTVCQKD
LCCHLSYKMSENIPNEVYALGAFDGLHTVEGRYYLQICTLLKCKTTNLNTCGDSAETAST
RFEMFSLSGTFGTQYVFPEVLLSENQLAPGEFQVSTDGRLFSLKPTSGPVLTVTLFGRLY
EKDWASNASSGLTAQARIIMLIVIAPIVCSLSW
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| BDBM394652 |
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| n/a |
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| Name | BDBM394652 |
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| Synonyms: | (−)-4-(1-{[5-(3-cyanobenzoyl)pyrimidin-2-yl]amino}ethyl)benzamide | US10308615, Example 9 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H17N5O2 |
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| Mol. Mass. | 371.392 |
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| SMILES | C[C@@H](Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1ccc(cc1)C(N)=O |r| |
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| Structure | 
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