Ligand
Ligand Name:   (1S,5R)-2-{[(4S)-1-(2-aminoethyl)azepan-4-yl]carbamoyl}-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1294 PubChem:   24855902
Synonym(s):  
  •   chembl1800870
  • schembl3612589
  • (1r,5s)-4-[[(4s)-1-(2-aminoethyl)azepan-4-yl]carbamoyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid
show 2 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1800870
Canonical SMILES:   NCCN1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O
Standard InChI:   InChI=1S/C14H25N5O5S/c15-5-9-17-6-1-2-10(3-7-17)16-14(21)18-8-4-11-12(18)13(20)19(11)25(22,23)24/h10-12H,1-9,15H2,(H,16,21)(H,22,23,24)/t10-,11+,12-/m0/s1
Molecular Formula:   C14H25N5O5S Mol. Weight:   375.15765 logP:   -1.4029
HBD:   3 HBA:   6
#Rotatable Bonds:   4 TPSA:   136.28

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase P24735 (AMPC_PSEAE) Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) 3S1Y S1Y IC50 : 600 nM PDBBind SHOW