Ligand name: TOMUDEX
PDB ligand accession: D16
DrugBank: DB00293
PubChem: 104758;5281913;135400182;
ChEMBL: CHEMBL225071
InChI Key: IVTVGDXNLFLDRM-HNNXBMFYSA-N
SMILES: CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)NC(CCC(=O)O)C(=O)O

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of proteins that are targets for DB00293

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P04818_D16	P04818	inhibitor	IC50(nM) = 9.0
2	F5HBQ9_D16	F5HBQ9	n/a
3	P0A884_D16	P0A884	n/a	IC50(nM) = 2300.0
4	P07607_D16	P07607	n/a
5	Q9Y052_D16	Q9Y052	n/a
6	P45352_D16	P45352	n/a
7	A7ASX7_D16	A7ASX7	n/a
8	Q05932_D16	Q05932	antagonist
9	P67044_D16	P67044	n/a
10	C6GJB8_D16	C6GJB8	n/a
11	Q77J90_D16	Q77J90	n/a
12	Q9WYT0_D16	Q9WYT0	n/a