Ligand |
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Ligand Name: (-)-Hexahydro-zampanolide | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB408 | PubChem: 11431912 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: C/C=C/C=C\C(=O)N[C@@H](O)[C@@H](C/C(C)=C/[C@H]12)OC(=O)/C=C/C=C(/C)CC(=O)/C=C/C[C@@H](O1)CC(C2)=C | ||
Standard InChI: InChI=1S/C29H37NO6/c1-5-6-7-13-27(32)30-29(34)26-19-22(4)18-25-17-21(3)16-24(35-25)12-9-11-23(31)15-20(2)10-8-14-28(33)36-26/h5-11,13-14,18,24-26,29,34H,3,12,15-17,19H2,1-2,4H3,(H,30,32)/b6-5+,11-9+,13-7-,14-8+,20-10-,22-18+/t24-,25-,26-,29+/m1/s1 | ||
Molecular Formula: C29H37NO6 | Mol. Weight: 495.2621 | logP: 4.3269 |
HBD: 2 | HBA: 6 | |
#Rotatable Bonds: 4 | TPSA: 101.93 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Tubulin beta-2B chain | Q6B856 (TBB2B_BOVIN) | Bos taurus (Bovine) | 5NG1 | 8WE |
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