Ligand |
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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 |