Structure of PDB 2ju4 Chain A Binding Site BS02 |
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Ligand ID | RCY |
InChI | InChI=1S/C12H20N2O3/c1-11(2)7-8(12(3,4)14(11)17)13-9(15)5-6-10(13)16/h8,17H,5-7H2,1-4H3/t8-/m1/s1 |
InChIKey | BGLGHMPQDJUKJG-MRVPVSSYSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | CC1(CC(C(N1[O])(C)C)N2C(=O)CCC2=O)C | CACTVS 3.370 | CC1(C)C[C@@H](N2C(=O)CCC2=O)C(C)(C)N1[O] | ACDLabs 12.01 | ON2C(CC(N1C(=O)CCC1=O)C2(C)C)(C)C | CACTVS 3.370 | CC1(C)C[CH](N2C(=O)CCC2=O)C(C)(C)N1[O] | OpenEye OEToolkits 1.7.6 | CC1(C[C@H](C(N1[O])(C)C)N2C(=O)CCC2=O)C |
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Formula | C12 H19 N2 O3 |
Name | (3'R)-1'-oxyl-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione; 3-Maleimido-PROXYL (bound form) |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 2ju4 Chain A Residue 121
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Enzyme Commision number |
3.1.4.35: 3',5'-cyclic-GMP phosphodiesterase. |
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