Ligand

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Ligand Name:   4-(3-ethylthiophen-2-yl)benzene-1,2-diol
HET ID:   W29 PubChem:   24875311
DrugBank:   DB08718 ChEMBL:   CHEMBL445245
Canonical SMILES:   CCc1ccsc1c1ccc(c(c1)O)O
Standard InChI:   InChI=1S/C12H12O2S/c1-2-8-5-6-15-12(8)9-3-4-10(13)11(14)7-9/h3-7,13-14H,2H2,1H3
Molecular Formula:   C12H12O2S Mol. Weight:   220.28748 Heavy Atoms:   15
Charge:   0 Is Chiral:   False logP:   3.3887
HBD:   2 HBA:   3 TPSA:   68.7
#Bonds:   16 #Rotatable Bonds:   2 Shape Complexity:   0.16666667
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Methionine aminopeptidase P0AE18 (MAP1_ECOLI) Escherichia coli 3D27 IC50 : 55700.0 nM PDBBind SHOW
Methionine aminopeptidase P0AE18 (MAP1_ECOLI) Escherichia coli 3D27 IC50 : 55700.0 nM Binding MOAD SHOW