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| Ligand ID | ZOF |
| InChI | InChI=1S/C16H28N4O3S/c17-16-19-11-10-24-12(15(11)20-16)6-3-4-7-13(21)18-9-5-1-2-8-14(22)23/h11-12,15H,1-10H2,(H,18,21)(H,22,23)(H3,17,19,20)/t11-,12-,15-/m0/s1 |
| InChIKey | IAJKFHSLWUNBII-HUBLWGQQSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)CCCCCNC(=O)CCCC[CH]1SC[CH]2NC(=N)N[CH]12 | | ACDLabs 12.01 | O=C(O)CCCCCNC(=O)CCCCC1SCC2NC(=[N@H])NC12 | | CACTVS 3.385 | OC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=N)N[C@H]12 | | OpenEye OEToolkits 1.7.6 | C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)O)NC(=N)N2 | | OpenEye OEToolkits 1.7.6 | [H]/N=C/1\N[C@H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O)O |
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| Formula | C16 H28 N4 O3 S |
| Name | 6-({5-[(2E,3aS,4S,6aR)-2-iminohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000034054957
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| PDB chain | 3wzq Chain B Residue 1001
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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