Structure of PDB 1p1n Chain A Binding Site BS01 |
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Ligand ID | KAI |
InChI | InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1 |
InChIKey | VLSMHEGGTFMBBZ-OOZYFLPDSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | CC(=C)C1CNC(C1CC(=O)O)C(=O)O | CACTVS 3.341 | CC(=C)[CH]1CN[CH]([CH]1CC(O)=O)C(O)=O | ACDLabs 10.04 | O=C(O)C1NCC(\C(=C)C)C1CC(=O)O | OpenEye OEToolkits 1.5.0 | CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O | CACTVS 3.341 | CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |
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Formula | C10 H15 N O4 |
Name | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE; KAINATE |
ChEMBL | CHEMBL275040 |
DrugBank | |
ZINC | ZINC000003995575
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PDB chain | 1p1n Chain A Residue 999
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Enzyme Commision number |
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