Ligand |
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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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