Ligand
Ligand Name:   Ruthenocenyl-7-Aminocephalosporanic Acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1382 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   [Ru]123456789[C]%10[C]1[C]2[C]3[C]4%10.CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CCC(=O)C51[C]6[C]7[C]8[C]91)C2=O)C(O)=O
Standard InChI:   InChI=1S/C19H15N2O7S.C5.Ru/c1-10(22)28-8-12-9-29-18-15(17(25)21(18)16(12)19(26)27)20-14(24)7-6-13(23)11-4-2-3-5-11;1-2-4-5-3-1;/h15,18H,6-9H2,1H3,(H,20,24)(H,26,27);;/t15-,18-;;/m1../s1
Molecular Formula:   C24H15N2O7RuS Mol. Weight:   576.96436 logP:   0.08811
HBD:   2 HBA:   7
#Rotatable Bonds:   8 TPSA:   130.08

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q9L5C7 (Q9L5C7_ECOLX) Escherichia coli 6VNU TDJ
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