Ligand name: TRIMETHOPRIM
PDB ligand accession: TOP
DrugBank: DB00440
PubChem: 5578
ChEMBL: CHEMBL22
InChI Key: IEDVJHCEMCRBQM-UHFFFAOYSA-N
SMILES: COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Phenol ethers
      • Subclass: Anisoles

List of proteins that are targets for DB00440

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P11731_TOP	P11731	n/a
2	P16184_TOP	P16184	n/a	Ki(nM) = 151.36 IC50(nM) = 12000.0
3	Q83AB2_TOP	Q83AB2	n/a
4	P71968_TOP	P71968	n/a
5	P0ABQ4_TOP	P0ABQ4	inhibitor	Ki(nM) = 3.0 IC50(nM) = 7.0
6	A0A3N4BLI0_TOP	A0A3N4BLI0	n/a
7	C3S7P8_TOP	C3S7P8	n/a
8	Q81R22_TOP	Q81R22	n/a
9	O30463_TOP	O30463	n/a
10	P00374_TOP	P00374	modulator	Ki(nM) = 0.006 IC50(nM) = 27.0
11	P0A017_TOP	P0A017	n/a	Ki(nM) = 1.2 IC50(nM) = 7.0
12	P0A546_TOP	P0A546	n/a
13	P0ABQ5_TOP	P0ABQ5	n/a
14	Q01782_TOP	Q01782	n/a
15	A4GRC7_TOP	A4GRC7	n/a
16	P13955_TOP	P13955	n/a	IC50(nM) = 15100.0