Ligand
Ligand Name:   CB2
Ligand Type:   non-polymer
Ligand ID:   COVPDB1184 PubChem:   142473761
Synonym(s):  
  •   chembl4533632
  • bdbm50505403
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4533632
Canonical SMILES:   NCc1ccc(cc1)C(=O)N[C@H]1Cc2cccc(C(O)=O)c2OB1O
Standard InChI:   InChI=1S/C17H17BN2O5/c19-9-10-4-6-11(7-5-10)16(21)20-14-8-12-2-1-3-13(17(22)23)15(12)25-18(14)24/h1-7,14,24H,8-9,19H2,(H,20,21)(H,22,23)/t14-/m0/s1
Molecular Formula:   C17H17BN2O5 Mol. Weight:   340.12305 logP:   0.5967
HBD:   4 HBA:   5
#Rotatable Bonds:   4 TPSA:   121.88

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) 6YEO OK3
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