Ligand
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