Ligand
Ligand Name:   N-{2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-yl}-2-{[2-(dimethylamino)ethyl]disulfanyl}acetamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB671 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CN(C)CCSSCC(=O)Nc1cc(ccc1O)-c1ccc(F)cc1F
Standard InChI:   InChI=1S/C18H20F2N2O2S2/c1-22(2)7-8-25-26-11-18(24)21-16-9-12(3-6-17(16)23)14-5-4-13(19)10-15(14)20/h3-6,9-10,23H,7-8,11H2,1-2H3,(H,21,24)
Molecular Formula:   C18H20F2N2O2S2 Mol. Weight:   398.0934 logP:   4.2189
HBD:   2 HBA:   5
#Rotatable Bonds:   8 TPSA:   52.57

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Tyrosine-protein phosphatase non-receptor type 1 P18031 (PTN1_HUMAN) Homo sapiens (Human) 6B95 D0P Ki : 7100 nM PDBBind SHOW