Ligand
Ligand Name:   MXG
Ligand Type:   non-polymer
Ligand ID:   COVPDB1115 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C[C@H](NC(C)=O)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1[C@H]2SCC(OC(C)=O)=C(N2C1=O)C(O)=O)C(O)=O
Standard InChI:   InChI=1S/C25H36N6O11S/c1-11(27-12(2)32)20(35)29-15(24(38)39)7-8-17(34)28-14(6-4-5-9-26)21(36)30-18-22(37)31-19(25(40)41)16(42-13(3)33)10-43-23(18)31/h11,14-15,18,23H,4-10,26H2,1-3H3,(H,27,32)(H,28,34)(H,29,35)(H,30,36)(H,38,39)(H,40,41)/t11-,14-,15+,18+,23+/m0/s1
Molecular Formula:   C25H36N6O11S Mol. Weight:   628.21625 logP:   -2.2664
HBD:   7 HBA:   11
#Rotatable Bonds:   16 TPSA:   263.63

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 1O07 MXG
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