Structure of PDB 7xen Chain A Binding Site BS01 |
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| Ligand ID | 9ZN |
| InChI | InChI=1S/C13H19N2O7PS/c1-7-10(16)9(5-15-11(12(17)18)13(2,3)24)8(4-14-7)6-22-23(19,20)21/h4-5,11,16,24H,6H2,1-3H3,(H,17,18)(H2,19,20,21)/b15-5+/t11-/m1/s1 |
| InChIKey | QCEQCGHUNRWSKE-WFWRNDJQSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](C(=O)O)C(C)(C)S)O | | OpenEye OEToolkits 2.0.7 | Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C(=O)O)C(C)(C)S)O | | CACTVS 3.385 | Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](C(O)=O)C(C)(C)S)c1O | | CACTVS 3.385 | Cc1ncc(CO[P](O)(O)=O)c(C=N[C@H](C(O)=O)C(C)(C)S)c1O |
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| Formula | C13 H19 N2 O7 P S |
| Name | (2~{R})-3-methyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-butanoic acid |
| ChEMBL | |
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| ZINC |
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| PDB chain | 7xen Chain A Residue 501
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| Enzyme Commision number |
2.8.1.7: cysteine desulfurase. |
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