Ligand
Ligand Name:   3-{[(2S)-1-[(2S)-2-{[(1S)-1-(diphenoxyphosphoryl)-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}propanoic acid
Ligand Type:   peptide-like
Ligand ID:   COVPDB1445 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)[C@H](NC(=O)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Standard InChI:   InChI=1S/C34H40N3O8P/c1-24(2)32(35-29(38)20-21-31(39)40)34(42)37-22-12-19-28(37)33(41)36-30(23-25-13-6-3-7-14-25)46(43,44-26-15-8-4-9-16-26)45-27-17-10-5-11-18-27/h3-11,13-18,24,28,30,32H,12,19-23H2,1-2H3,(H,35,38)(H,36,41)(H,39,40)/t28-,30-,32-/m0/s1
Molecular Formula:   C34H40N3O8P Mol. Weight:   649.2553 logP:   5.0191
HBD:   3 HBA:   7
#Rotatable Bonds:   15 TPSA:   151.34

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Serine protease SplA Q2FXC2 (SPLA_STAA8) Staphylococcus aureus (strain NCTC 8325 / PS 47) 3UFA VPF Ki : 10000 nM PDBBind SHOW