Ligand
Ligand Name:   5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB784 PubChem:   4063014
Synonym(s):  
  •   schembl1103795
  • zinc22059358
  • 5-(2,5-dioxopyrrol-1-yl)-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
  • q27460157
show 3 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1614942
Canonical SMILES:   OC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N1C(=O)C=CC1=O
Standard InChI:   InChI=1S/C24H13NO7/c26-13-2-5-16-19(10-13)32-20-11-14(27)3-6-17(20)23(16)15-4-1-12(9-18(15)24(30)31)25-21(28)7-8-22(25)29/h1-11,26H,(H,30,31)
Molecular Formula:   C24H13NO7 Mol. Weight:   427.0692 logP:   3.398
HBD:   2 HBA:   6
#Rotatable Bonds:   3 TPSA:   125.12

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase P00808 (BLAC_BACLI) Bacillus licheniformis 3M2J F5M
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