Covpdb









Ligand
Ligand Name:   Cl-amidine
Ligand Type:   non-polymer
Ligand ID:   COVPDB553 PubChem:   24970878
Synonym(s):  
  •   913723-61-2
  • n-[(1s)-1-(aminocarbonyl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-benzamide
  • chembl1962361
  • n-[(2s)-1-amino-5-[(1-amino-2-chloroethylidene)amino]-1-oxopentan-2-yl]benzamide
  • chembl1910972
  • gtpl8685
  • schembl1979577
  • us8969333, ci-amidine
  • bdbm144279
  • ex-a3098
  • 4373aj
  • bdbm50355657
  • zinc71746281
  • ne62957
  • sb39865
  • hy-100574
  • cs-0019714
  • q27076094
  • (2s)-5-(2-chloroethanimidamido)-2-(phenylformamido)pentanamide
show 18 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1962361
Canonical SMILES:   NC(=O)[C@H](CCCNC(=N)CCl)NC(=O)c1ccccc1
Standard InChI:   InChI=1S/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1
Molecular Formula:   C14H19ClN4O2 Mol. Weight:   310.11966 logP:   0.85617
HBD:   4 HBA:   3
#Rotatable Bonds:   8 TPSA:   108.07

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Peptidylarginine deiminase Q9RQJ2 (PAD_PORGI) Porphyromonas gingivalis (strain ATCC BAA-308 / W83) 6I0X BFB
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