Ligand
Ligand Name:   (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-keto-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide
Ligand Type:   peptide-like
Ligand ID:   COVPDB1 PubChem:   10768463
Synonym(s):  
  •   chembl432470
  • bdbm50076231
  • (1s,7s)-7-amino-7-benzyl-8-oxo-hexahydro-pyrazolo[1,2-a]pyridazine-1-carboxylic acid ((s)-5-amino-1-cyclohexylaminooxalyl-pentyl)-amide
show 2 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL432470
Canonical SMILES:   NCCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)C(=O)NC1CCCCC1
Standard InChI:   InChI=1S/C28H42N6O4/c29-16-8-7-13-22(24(35)26(37)31-21-11-5-2-6-12-21)32-25(36)23-14-17-33-18-15-28(30,27(38)34(23)33)19-20-9-3-1-4-10-20/h1,3-4,9-10,21-23H,2,5-8,11-19,29-30H2,(H,31,37)(H,32,36)/t22-,23-,28+/m0/s1
Molecular Formula:   C28H42N6O4 Mol. Weight:   526.3268 logP:   0.78
HBD:   4 HBA:   7
#Rotatable Bonds:   11 TPSA:   150.86

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) 1A46 00K Ki : 2000 nM PDBBind SHOW