Ligand |
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Ligand Name: GR157368 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB60 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: NC(=N)CCCC[C@@H]1[C@@H]2CCC[C@H]2OC1=O | ||
Standard InChI: InChI=1S/C12H20N2O2/c13-11(14)7-2-1-4-9-8-5-3-6-10(8)16-12(9)15/h8-10H,1-7H2,(H3,13,14)/t8-,9+,10+/m0/s1 | ||
Molecular Formula: C12H20N2O2 | Mol. Weight: 224.15248 | logP: 1.82447 |
HBD: 2 | HBA: 3 | |
#Rotatable Bonds: 5 | TPSA: 76.17 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Prothrombin | P00734 (THRB_HUMAN) | Homo sapiens (Human) | 1QHR | 157 | IC50 : 130 nM | PDBBind | SHOW |