Ligand
Ligand Name:   KYT-36
Ligand Type:   non-polymer
Ligand ID:   COVPDB892 PubChem:   11273632
Synonym(s):  
  •   schembl19630946
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CN(NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)C(=O)NCc1ccccc1)c1ccccc1
Standard InChI:   InChI=1S/C34H42N6O6/c1-40(27-17-9-4-10-18-27)39-30(41)21-20-29(38-34(45)46-24-26-15-7-3-8-16-26)32(43)37-28(19-11-12-22-35)31(42)33(44)36-23-25-13-5-2-6-14-25/h2-10,13-18,28-29H,11-12,19-24,35H2,1H3,(H,36,44)(H,37,43)(H,38,45)(H,39,41)/t28-,29-/m0/s1
Molecular Formula:   C34H42N6O6 Mol. Weight:   630.3166 logP:   2.7285
HBD:   5 HBA:   8
#Rotatable Bonds:   18 TPSA:   171.96

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Lys-gingipain W83 Q51817 (KGP83_PORGN) Porphyromonas gingivalis 6I9A H8E
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