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| Ligand ID | A1IIZ |
| InChI | InChI=1S/C23H27N9O7/c1-2-7-26-22(37)15(10-27-17(34)12-32-11-14(19(24)35)21(36)30-23(32)38)28-16(33)5-6-18-29-20(31-39-18)13-4-3-8-25-9-13/h3-4,8-9,11,15H,2,5-7,10,12H2,1H3,(H2,24,35)(H,26,37)(H,27,34)(H,28,33)(H,30,36,38)/t15-/m0/s1 |
| InChIKey | WGTNFHHLZQGSEM-HNNXBMFYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CCCNC(=O)C(CNC(=O)CN1C=C(C(=O)NC1=O)C(=O)N)NC(=O)CCc2nc(no2)c3cccnc3 | | CACTVS 3.385 | CCCNC(=O)[C@H](CNC(=O)CN1C=C(C(N)=O)C(=O)NC1=O)NC(=O)CCc2onc(n2)c3cccnc3 | | OpenEye OEToolkits 2.0.7 | CCCNC(=O)[C@H](CNC(=O)CN1C=C(C(=O)NC1=O)C(=O)N)NC(=O)CCc2nc(no2)c3cccnc3 | | CACTVS 3.385 | CCCNC(=O)[CH](CNC(=O)CN1C=C(C(N)=O)C(=O)NC1=O)NC(=O)CCc2onc(n2)c3cccnc3 |
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| Formula | C23 H27 N9 O7 |
| Name | 2,4-bis(oxidanylidene)-1-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-3-(propylamino)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propyl]amino]ethyl]pyrimidine-5-carboxamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 9g7h Chain A Residue 403
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