Ligand
Ligand Name:   (-)-Hexahydro-zampanolide
Ligand Type:   non-polymer
Ligand ID:   COVPDB408 PubChem:   11431912
Synonym(s):  
  •   (-)-zampanolide
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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