Structure of PDB 7v4f Chain B Binding Site BS01 |
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Ligand ID | 5KC |
InChI | InChI=1S/C6H12N2O5/c7-5(6(12)13)3(9)1-8-2-4(10)11/h3,5,8-9H,1-2,7H2,(H,10,11)(H,12,13)/t3-,5-/m0/s1 |
InChIKey | ITNGKQLAUYSKRS-UCORVYFPSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | C([C@@H]([C@@H](C(=O)O)N)O)NCC(=O)O | CACTVS 3.385 | N[CH]([CH](O)CNCC(O)=O)C(O)=O | CACTVS 3.385 | N[C@@H]([C@@H](O)CNCC(O)=O)C(O)=O | OpenEye OEToolkits 2.0.7 | C(C(C(C(=O)O)N)O)NCC(=O)O |
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Formula | C6 H12 N2 O5 |
Name | (2S,3S)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 7v4f Chain B Residue 201
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Enzyme Commision number |
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