Ligand
Ligand Name:   6ALPHA-(HYDROXYPROPYL)PENICILLANATE
Ligand Type:   non-polymer
Ligand ID:   COVPDB500 PubChem:   100918655
Synonym(s):  
  •   6beta-(1-hydroxy-1-methylethyl)penicillanic acid
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)(O)[C@@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O
Standard InChI:   InChI=1S/C11H17NO4S/c1-10(2,16)5-7(13)12-6(9(14)15)11(3,4)17-8(5)12/h5-6,8,16H,1-4H3,(H,14,15)/t5-,6-,8+/m0/s1
Molecular Formula:   C11H17NO4S Mol. Weight:   259.08783 logP:   0.5204
HBD:   2 HBA:   4
#Rotatable Bonds:   2 TPSA:   77.84

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Imipenem-hydrolyzing beta-lactamase P52663 (BLAN_ENTCL) Enterobacter cloacae 1BUL AP3
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