Ligand
Ligand Name:   Deferoxamine-maleimide
Ligand Type:   non-polymer
Ligand ID:   COVPDB835 PubChem:   137444673
Synonym(s):  
  •   schembl20682596
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCN1C(=O)C=CC1=O
Standard InChI:   InChI=1S/C32H53N7O11/c1-25(40)37(48)21-8-2-5-18-33-26(41)11-13-31(46)38(49)22-9-3-6-19-34-27(42)12-14-32(47)39(50)23-10-4-7-20-35-28(43)17-24-36-29(44)15-16-30(36)45/h15-16,48-50H,2-14,17-24H2,1H3,(H,33,41)(H,34,42)(H,35,43)
Molecular Formula:   C32H53N7O11 Mol. Weight:   711.3803 logP:   0.3947
HBD:   6 HBA:   11
#Rotatable Bonds:   27 TPSA:   246.3

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Hemoglobin subunit beta P68871 (HBB_HUMAN) Homo sapiens (Human) 6HK2 G7Z
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