Structure of PDB 7t3n Chain A Binding Site BS01 |
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Ligand ID | C5B |
InChI | InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1 |
InChIKey | YFYNOWXBIBKGHB-FBCQKBJTSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | C1CC(CC1C(=O)O)(C(=O)O)N | OpenEye OEToolkits 1.5.0 | C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N | CACTVS 3.341 | N[C]1(CC[CH](C1)C(O)=O)C(O)=O | ACDLabs 10.04 | O=C(O)C1(N)CC(C(=O)O)CC1 | CACTVS 3.341 | N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O |
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Formula | C7 H11 N O4 |
Name | (1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICARBOXYLIC ACID; 1S,3R-ACPD |
ChEMBL | CHEMBL34453 |
DrugBank | |
ZINC | ZINC000002004213
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PDB chain | 7t3n Chain A Residue 601
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Enzyme Commision number |
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