Structure of PDB 3by0 Chain A Binding Site BS01 |
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Ligand ID | DBS |
InChI | InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1 |
InChIKey | VDTYHTVHFIIEIL-LURJTMIESA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | c1cc(c(c(c1)O)O)C(=O)NC(CO)C(=O)O | OpenEye OEToolkits 1.5.0 | c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O | CACTVS 3.341 | OC[CH](NC(=O)c1cccc(O)c1O)C(O)=O | ACDLabs 10.04 | O=C(O)C(NC(=O)c1cccc(O)c1O)CO | CACTVS 3.341 | OC[C@H](NC(=O)c1cccc(O)c1O)C(O)=O |
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Formula | C10 H11 N O6 |
Name | 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID; 2,3,-DIHYDROXYBENZOYLSERINE |
ChEMBL | |
DrugBank | DB02710 |
ZINC |
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PDB chain | 3by0 Chain A Residue 191
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Enzyme Commision number |
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