Ligand
Ligand Name:   uPA-I6
Ligand Type:   non-polymer
Ligand ID:   COVPDB1306 PubChem:   9891496
Synonym(s):  
  •   schembl7617217
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C=O
Standard InChI:   InChI=1S/C20H32N6O6S/c1-14(18(29)25-16(12-27)8-5-10-23-20(21)22)24-19(30)17(13-28)26-33(31,32)11-9-15-6-3-2-4-7-15/h2-4,6-7,12,14,16-17,26,28H,5,8-11,13H2,1H3,(H,24,30)(H,25,29)(H4,21,22,23)/t14-,16-,17+/m0/s1
Molecular Formula:   C20H32N6O6S Mol. Weight:   484.21042 logP:   -2.03893
HBD:   7 HBA:   7
#Rotatable Bonds:   15 TPSA:   203.57

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Urokinase-type plasminogen activator P00749 (UROK_HUMAN) Homo sapiens (Human) 1W14 SH1 Ki : 3 nM PDBBind SHOW