Ligand
Ligand Name:   N-(2-{[2-(dimethylamino)ethyl]disulfanyl}ethyl)-2-methyl-1-benzofuran-3-carboxamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB77 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CN(C)CCSSCCNC(=O)c1c(C)oc2ccccc12
Standard InChI:   InChI=1S/C16H22N2O2S2/c1-12-15(13-6-4-5-7-14(13)20-12)16(19)17-8-10-21-22-11-9-18(2)3/h4-7H,8-11H2,1-3H3,(H,17,19)
Molecular Formula:   C16H22N2O2S2 Mol. Weight:   338.11227 logP:   3.41402
HBD:   1 HBA:   5
#Rotatable Bonds:   8 TPSA:   45.48

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
3-phosphoinositide-dependent protein kinase 1 O15530 (PDPK1_HUMAN) Homo sapiens (Human) 3ORX 1F8
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