Ligand
Ligand Name:   3-hydroxy-6-(hydroxymethyl)-2-{[(pyridin-2-yl)amino](thiophen-3-yl)methyl}-4H-pyran-4-one
Ligand Type:   non-polymer
Ligand ID:   COVPDB995 PubChem:   1382557
Synonym(s):  
  •   zinc1236089
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OCc1cc(=O)c(O)c(o1)[C@@H](c2ccsc2)Nc3ncccc3
Standard InChI:   InChI=1S/C16H14N2O4S/c19-8-11-7-12(20)15(21)16(22-11)14(10-4-6-23-9-10)18-13-3-1-2-5-17-13/h1-7,9,14,19,21H,8H2,(H,17,18)/t14-/m1/s1
Molecular Formula:   C16H14N2O4S Mol. Weight:   330.0674 logP:   2.4957
HBD:   3 HBA:   7
#Rotatable Bonds:   5 TPSA:   95.59

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Sortase A Q2FV99 (SRTA_STAA8) Staphylococcus aureus (strain NCTC 8325 / PS 47) 6R1V JPT
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