|
| Ligand ID | EBX |
| InChI | InChI=1S/C22H26N4O5/c1-6-13(15-9-12(10-31-15)11(2)3)24-16-17(21(29)20(16)28)25-14-7-8-23-18(19(14)27)22(30)26(4)5/h7-11,13,24,27H,6H2,1-5H3,(H,23,25)/t13-/m1/s1 |
| InChIKey | JSZQMZJVSCVDMA-CYBMUJFWSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC[C@H](c1cc(co1)C(C)C)NC2=C(C(=O)C2=O)Nc3ccnc(c3O)C(=O)N(C)C | | CACTVS 3.385 | CC[CH](NC1=C(Nc2ccnc(c2O)C(=O)N(C)C)C(=O)C1=O)c3occ(c3)C(C)C | | CACTVS 3.385 | CC[C@@H](NC1=C(Nc2ccnc(c2O)C(=O)N(C)C)C(=O)C1=O)c3occ(c3)C(C)C | | OpenEye OEToolkits 2.0.7 | CCC(c1cc(co1)C(C)C)NC2=C(C(=O)C2=O)Nc3ccnc(c3O)C(=O)N(C)C |
|
| Formula | C22 H26 N4 O5 |
| Name | 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 9d3e Chain A Residue 502
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
