Covpdb









Ligand
Ligand Name:   uPA-I2
Ligand Type:   non-polymer
Ligand ID:   COVPDB1314 PubChem:   9931721
Synonym(s):  
  •   n-(isobutoxycarbonyl)-d-seryl-n-((1s)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-l-alaninamide
  • schembl7172520
  • q27465379
  • 2-methylpropyl n-[(2r)-1-[[(2s)-1-[[(2s)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
  • n-[(2-methylpropoxy)carbonyl]-d-seryl-n-[(1s)-4-carbamimidamido-1-formylbutyl]-l-alaninamide
show 4 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1235950
Canonical SMILES:   CC(C)COC(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C=O
Standard InChI:   InChI=1S/C17H32N6O6/c1-10(2)9-29-17(28)23-13(8-25)15(27)21-11(3)14(26)22-12(7-24)5-4-6-20-16(18)19/h7,10-13,25H,4-6,8-9H2,1-3H3,(H,21,27)(H,22,26)(H,23,28)(H4,18,19,20)/t11-,12-,13+/m0/s1
Molecular Formula:   C17H32N6O6 Mol. Weight:   416.23834 logP:   -1.81883
HBD:   7 HBA:   7
#Rotatable Bonds:   13 TPSA:   195.73

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) 1W10 SJ1 Ki : 28 nM PDBBind SHOW