Ligand
Ligand Name:   6-[2-(4-ethyl-2,3-dioxo-piperazin-1-ylamino)-2-phenyl-acetylamino]-3,3,-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB646 PubChem:   14054373
Synonym(s):  
  •   zinc8739990
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCN1CCN(N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O
Standard InChI:   InChI=1S/C22H27N5O6S/c1-4-25-10-11-26(19(31)18(25)30)24-13(12-8-6-5-7-9-12)16(28)23-14-17(29)27-15(21(32)33)22(2,3)34-20(14)27/h5-9,13-15,20,24H,4,10-11H2,1-3H3,(H,23,28)(H,32,33)/t13-,14-,15+,20-/m1/s1
Molecular Formula:   C22H27N5O6S Mol. Weight:   489.1682 logP:   -0.4453
HBD:   3 HBA:   7
#Rotatable Bonds:   7 TPSA:   139.36

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Penicillin-binding protein 4 A8E0K8 (A8E0K8_HAEIF) Haemophilus influenzae 3A3E CMV
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