Overall Progress
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Ligand Models 1
| Name | Tetrandrine |
| 2D and 3D depictions |
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| SMILES | COc1ccc3cc1Oc2ccc(cc2)C[C@H]7c6cc(Oc5c(OC)c(OC)cc4CCN(C)[C@@H](C3)c45)c(OC)cc6CCN7C |
| Model downloads | |
| Fingerprints | |
Ligand Models 2
| Name | Berbamine |
| 2D and 3D depictions |
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| SMILES | COc4cc5CCN(C)C6Cc1ccc(cc1)Oc2cc(ccc2O)CC7c3c(cc(OC)c(OC)c3Oc4cc56)CCN7C |
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| Fingerprints | |
Ligand Models 3
| Name | Anidulafungin |
| 2D and 3D depictions |
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| SMILES | CCCCCOc7ccc(c6ccc(c5ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]1[C@@H](O)[C@@H](C)CN1C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H]([C@@H](C)O)NC4=O)cc5)cc6)cc7 |
| Model downloads | |
| Fingerprints | |
Ligand Models 4
| Name | Gilteritinib |
| 2D and 3D depictions |
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| SMILES | CCc4nc(C(N)=O)c(Nc3ccc(N2CCC(N1CCN(C)CC1)CC2)c(OC)c3)nc4NC5CCOCC5 |
| Model downloads | |
| Fingerprints | |
Ligand Models 5
| Name | Abemaciclib |
| 2D and 3D depictions |
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| SMILES | CCN5CCN(Cc4ccc(Nc3ncc(F)c(c2cc(F)c1nc(C)n(C(C)C)c1c2)n3)nc4)CC5 |
| Model downloads | |
| Fingerprints | |