Ligand
Ligand Name:   TYROSTATIN
Ligand Type:   peptide-like
Ligand ID:   COVPDB1402 PubChem:   87651437
Synonym(s):  
  •   schembl4325541
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Oc1ccc(cc1)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)Cc2ccc(O)cc2
Standard InChI:   InChI=1S/C29H39N3O6/c1-18(2)13-25(28(37)30-22(17-33)15-20-5-9-23(34)10-6-20)32-29(38)26(31-27(36)14-19(3)4)16-21-7-11-24(35)12-8-21/h5-12,17-19,22,25-26,34-35H,13-16H2,1-4H3,(H,30,37)(H,31,36)(H,32,38)/t22-,25-,26-/m0/s1
Molecular Formula:   C29H39N3O6 Mol. Weight:   525.2839 logP:   2.6285
HBD:   5 HBA:   6
#Rotatable Bonds:   14 TPSA:   144.83

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Pseudomonalisin P42790 (PICP_PSESR) Pseudomonas sp. (strain 101) (Achromobacter parvulus T1) 6M9F TYE
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