Structure of PDB 6vh0 Chain A Binding Site BS01 |
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| Ligand ID | QZD |
| InChI | InChI=1S/C20H35N3O7/c1-4-20(10-28-12-29-11-20)30-19(27)23-16(7-13(2)3)18(26)22-15(9-24)8-14-5-6-21-17(14)25/h13-16,24H,4-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t14-,15-,16-/m0/s1 |
| InChIKey | CIPOPMFGDDGOBO-JYJNAYRXSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CCC1(COCOC1)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)CO | | ACDLabs 12.01 | C(C(NC(C(CC(C)C)NC(OC1(COCOC1)CC)=O)=O)CO)C2C(=O)NCC2 | | OpenEye OEToolkits 2.0.7 | CCC1(COCOC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO | | CACTVS 3.385 | CCC1(COCOC1)OC(=O)N[CH](CC(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O | | CACTVS 3.385 | CCC1(COCOC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C[C@@H]2CCNC2=O |
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| Formula | C20 H35 N3 O7 |
| Name | N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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| PDB chain | 6vh0 Chain A Residue 401
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