Ligand
Ligand Name:   MPC-1
Ligand Type:   non-polymer
Ligand ID:   COVPDB1245 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC1(C)S[C@@H]2[C@@H]([C@H](O)CCc3cccs3)C(=O)N2[C@H]1C(O)=O
Standard InChI:   InChI=1S/C15H19NO4S2/c1-15(2)11(14(19)20)16-12(18)10(13(16)22-15)9(17)6-5-8-4-3-7-21-8/h3-4,7,9-11,13,17H,5-6H2,1-2H3,(H,19,20)/t9-,10+,11+,13-/m1/s1
Molecular Formula:   C15H19NO4S2 Mol. Weight:   341.07556 logP:   1.8047
HBD:   2 HBA:   5
#Rotatable Bonds:   5 TPSA:   77.84

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase P05364 (AMPC_ENTCL) Enterobacter cloacae 5XHR PXH Ki : 7900 nM PDBBind SHOW