Covpdb









Ligand
Ligand Name:   uPA-I4
Ligand Type:   non-polymer
Ligand ID:   COVPDB1315 PubChem:   49867654
Synonym(s):  
  •   n-((1s)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-2-{(3r)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-1-yl}acetamide
  • q27465394
  • 2-{(3r)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-1-yl}-n-[(1s)-4-carbamimidamido-1-formylbutyl]acetamide
show 2 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1235954
Canonical SMILES:   NC(=N)NCCC[C@H](NC(=O)CN1c2ccccc2C(=N[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)c1ccccc1)C=O
Standard InChI:   InChI=1S/C30H33N7O5S/c31-30(32)33-17-9-14-23(19-38)34-26(39)18-37-25-16-8-7-15-24(25)27(22-12-5-2-6-13-22)35-28(29(37)40)36-43(41,42)20-21-10-3-1-4-11-21/h1-8,10-13,15-16,19,23,28,36H,9,14,17-18,20H2,(H,34,39)(H4,31,32,33)/t23-,28+/m0/s1
Molecular Formula:   C30H33N7O5S Mol. Weight:   603.2264 logP:   1.26327
HBD:   5 HBA:   7
#Rotatable Bonds:   13 TPSA:   186.91

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) 1W12 SL1 Ki : 14 nM PDBBind SHOW