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| Ligand ID | LVX |
| InChI | InChI=1S/C25H32F2N4O5S/c1-36-15-19(31-22(33)17-8-5-9-25(26,27)13-17)23(34)30-18(12-16-6-3-2-4-7-16)21(32)24(35)29-14-20-28-10-11-37-20/h2-4,6-7,10-11,17-19,21,32H,5,8-9,12-15H2,1H3,(H,29,35)(H,30,34)(H,31,33)/t17-,18-,19-,21+/m1/s1 |
| InChIKey | PYEYIJGOSSTTFY-XCJLJZCSSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | COC[CH](NC(=O)[CH]1CCCC(F)(F)C1)C(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)NCc3sccn3 | | CACTVS 3.385 | COC[C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)C(=O)N[C@H](Cc2ccccc2)[C@H](O)C(=O)NCc3sccn3 | | OpenEye OEToolkits 2.0.7 | COC[C@H](C(=O)N[C@H](Cc1ccccc1)[C@@H](C(=O)NCc2nccs2)O)NC(=O)[C@@H]3CCCC(C3)(F)F | | OpenEye OEToolkits 2.0.7 | COCC(C(=O)NC(Cc1ccccc1)C(C(=O)NCc2nccs2)O)NC(=O)C3CCCC(C3)(F)F |
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| Formula | C25 H32 F2 N4 O5 S |
| Name | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8hhu Chain A Residue 401
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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