BDBM104100 (5S)-PA::(5S)-Penicilloic acid
SMILES: CCN1CCN(C(=O)N[C@H](C2CC=CC=C2)C(=O)N[C@@H]([C@H]2N[C@@H](C(O)=O)C(C)(C)S2)C(O)=O)C(=O)C1=O
InChI Key: InChIKey=DRABKWVIJCNTBH-GLFGTKSUSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Penicillin binding protein 3 (PBP3) (Pseudomonas aeruginosa) | BDBM104100 ((5S)-PA | (5S)-Penicilloic acid) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.26E+5 | n/a | n/a | n/a | n/a | 7.2 | 25 |
University of Oxford | Assay Description An appropriate amount of enzyme (4uM) was pre-incubated with the (5R)- or 5(S)-penicilloic acid in the assay buffer (50mM HEPES-NaOH buffer (pH 7.2) ... | ACS Chem Biol 8: 2112-6 (2013) Article DOI: 10.1021/cb400200h BindingDB Entry DOI: 10.7270/Q2VT1QRK | |||||||||||
More data for this Ligand-Target Pair |