Target
Peptidoglycan D,D-transpeptidase FtsI
Ligand
BDBM50240426
Substrate
n/a
Meas. Tech.
IC50 Assay
pH
7.2±n/a
Temperature
298.15±n/a K
IC50
166±62 nM
Comments
extracted
Citation
 van Berkel, SSNettleship, JELeung, IKBrem, JChoi, HStuart, DIClaridge, TDMcDonough, MAOwens, RJRen, JSchofield, CJ Binding of (5S)-penicilloic acid to penicillin binding protein 3. ACS Chem Biol 8:2112-6 (2013) [PubMed]  Article 
Target
Name:
Peptidoglycan D,D-transpeptidase FtsI
Synonyms:
Penicillin binding protein 3 (PBP3)
Type:
Protein
Mol. Mass.:
62820.53
Organism:
Pseudomonas aeruginosa
Description:
A6VB91
Residue:
579
Sequence:
MKLNHFQGALYPWRFCVIVGLLLAMVGAIVWRIVDLHVIDHDFLKGQGDARSVRHIAIPAHRGLITDRNGEPLAVSTPVTTLWANPKELMAAKERWPQLAAALGQDTKLFADRIEQNAEREFIYLVRGLTPEQGEGVISLKVPGVYSIEEFRRFYPAGEVVAHAVGFTDVDDRGREGIELAFDEWLAGVPGKRQVLKDRRGRVIKDVQVTKNAKPGKTLALSIDLRLQYLAHRELRNALVENGAKAGSLVIMDVKTGEILAMTNQPTYNPNNRRNLQPAAMRNRAMIDVFEPGSTVKPFSMSAALASGRWKPSDIVDVYPGTLQIGRYTIRDVSRNSRQLDLTGILIKSSNVGISKIAFDIGAESIYSVMQQVGLGQDTGLGFPGERVGNLPNHRKWPKAETATLAYGYGLSVTAIQLAHAYAALANDGKSVPLSMTRVDRVPDGVQVISPEVASTVQGMLQQVVEAQGGVFRAQVPGYHAAGKSGTARKVSVGTKGYRENAYRSLFAGFAPATDPRIAMVVVIDEPSKAGYFGGLVSAPVFSKVMAGALRLMNVPPDNLPTATEQQQVNAAPAKGGRG
  
Inhibitor
Name:
BDBM50240426
Synonyms:
(2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | 6beta-{(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylic acid | CHEMBL702 | Piperacillin | Piperacillin anhydrous
Type:
Small organic molecule
Emp. Form.:
C23H27N5O7S
Mol. Mass.:
517.555
SMILES:
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O |r|
Structure:
Search PDB for entries with ligand similarity: