Ligand
Ligand Name:   (3S)-3-(benzylsulfanyl)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1035 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OB1Oc2c(C[C@H]1SCc1ccccc1)cccc2C(O)=O
Standard InChI:   InChI=1S/C16H15BO4S/c18-16(19)13-8-4-7-12-9-14(17(20)21-15(12)13)22-10-11-5-2-1-3-6-11/h1-8,14,20H,9-10H2,(H,18,19)/t14-/m1/s1
Molecular Formula:   C16H15BO4S Mol. Weight:   314.0784 logP:   2.6414
HBD:   2 HBA:   4
#Rotatable Bonds:   4 TPSA:   66.76

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) 6YPD KL8
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