Covpdb









Ligand
Ligand Name:   FFRCK
Ligand Type:   peptide-like
Ligand ID:   COVPDB887 PubChem:   10278683
Synonym(s):  
  •   dphe-phe-arg-chloromethylketone
  • d-phenylalanyl-n-[(3s)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-l-phenylalaninamide
  • ppack ii
  • zinc13551978
  • d-phenylalanyl-phenylalanyl-arginyl chloromethane
  • q27460986
  • d-phe-phe-arg chloromethylketone trifluoroacetate salt
  • (r)-2-amino-n-((s)-1-((s)-1-chloro-6-guanidino-2-oxohexan-3-ylamino)-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
show 7 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl
Standard InChI:   InChI=1S/C25H33ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20+,21+/m1/s1
Molecular Formula:   C25H33ClN6O3 Mol. Weight:   500.23026 logP:   0.83987
HBD:   6 HBA:   5
#Rotatable Bonds:   14 TPSA:   163.19

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Gingipain R2 P95493 (CPG2_PORGI) Porphyromonas gingivalis (strain ATCC BAA-308 / W83) 1CVR H37
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