Ligand name: (1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate
PDB ligand accession: MWV
DrugBank: DB01388
PubChem: 60663
ChEMBL: CHEMBL45816
InChI Key: HBNPJJILLOYFJU-VMPREFPWSA-N
SMILES: CC(C)C1c2ccc(cc2CCC1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F

ClassyFire chemical classification:

List of proteins that are targets for DB01388

# DrugDomain Data UniProt Accession Drug Action Affinity data
1 P54284_MWV P54284 inhibitor
2 O00305_MWV O00305 inhibitor
3 Q08289_MWV Q08289 inhibitor
4 Q9P0X4_MWV Q9P0X4 inhibitor IC50(nM) = 126.0
5 Q01668_MWV Q01668 inhibitor
6 O95180_MWV O95180 inhibitor IC50(nM) = 32.0
7 O43497_MWV O43497 inhibitor IC50(nM) = 64.0
8 O60840_MWV O60840 inhibitor
9 Q02641_MWV Q02641 inhibitor
10 Q13698_MWV Q13698 inhibitor
11 Q13936_MWV Q13936 inhibitor IC50(nM) = 156.0
12 P08684_MWV P08684 n/a Ki(nM) = 280.0
IC50(nM) = 130.0