Ligand
Ligand Name:   TAFC
Ligand Type:   non-polymer
Ligand ID:   COVPDB806 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C/C1=C/C(=O)N(O)CCC[C@@H](NC(=O)C)C(=O)OCC/C(C)=C\C(=O)N(O)CCC[C@@H](NC(=O)C)C(=O)OCC/C(C)=C\C(=O)N(O)CCC[C@@H](NC(=O)C)C(=O)OCC1
Standard InChI:   InChI=1S/C39H60N6O15/c1-25-13-19-58-37(52)31(40-28(4)46)11-8-17-44(56)35(50)23-27(3)15-21-60-39(54)33(42-30(6)48)12-9-18-45(57)36(51)24-26(2)14-20-59-38(53)32(41-29(5)47)10-7-16-43(55)34(49)22-25/h22-24,31-33,55-57H,7-21H2,1-6H3,(H,40,46)(H,41,47)(H,42,48)/b25-22-,26-24-,27-23-/t31-,32-,33-/m1/s1
Molecular Formula:   C39H60N6O15 Mol. Weight:   852.4117 logP:   1.1469
HBD:   6 HBA:   15
#Rotatable Bonds:   3 TPSA:   287.82

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Siderophore triacetylfusarinine C esterase Q4WF29 (ESTB_ASPFU) Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100) (Aspergillus fumigatus) 6GUR FN8
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