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| Ligand ID | E8J |
| InChI | InChI=1S/C21H31N5O5/c1-3-4-5-6-14(12-16(27)25-30)21(29)26-15-8-7-13(11-15)17(26)19(28)24-18-20(31-2)23-10-9-22-18/h9-10,13-15,17,30H,3-8,11-12H2,1-2H3,(H,25,27)(H,22,24,28)/t13-,14+,15+,17-/m0/s1 |
| InChIKey | JIGFOUXSTZPRRF-HWMZRRJGSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | C(CC(NO)=O)(C(=O)N2C1CCC(C1)C2C(=O)Nc3nccnc3OC)CCCCC | | CACTVS 3.385 | CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc3nccnc3OC | | OpenEye OEToolkits 2.0.6 | CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc3c(nccn3)OC | | OpenEye OEToolkits 2.0.6 | CCCCCC(CC(=O)NO)C(=O)N1C2CCC(C2)C1C(=O)Nc3c(nccn3)OC | | CACTVS 3.385 | CCCCC[CH](CC(=O)NO)C(=O)N1[CH]2CC[CH](C2)[CH]1C(=O)Nc3nccnc3OC |
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| Formula | C21 H31 N5 O5 |
| Name | (1R,3S,4S)-2-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-N-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6btp Chain A Residue 304
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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