Ligand
Ligand Name:   6-(bromomethyl)-5-hydroxy-4-oxo-4H-pyran-2-carboxylic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1309 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OC(=O)c1cc(=O)c(O)c(CBr)o1
Standard InChI:   InChI=1S/C7H5BrO5/c8-2-5-6(10)3(9)1-4(13-5)7(11)12/h1,10H,2H2,(H,11,12)
Molecular Formula:   C7H5BrO5 Mol. Weight:   247.93204 logP:   0.9385
HBD:   2 HBA:   4
#Rotatable Bonds:   2 TPSA:   87.74

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
3-dehydroquinate dehydratase Q186A6 (AROD_CLOD6) Clostridioides difficile (strain 630) (Peptoclostridium difficile) 4H3D SHL
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