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SMILES: [Na+].[H][C@]12[C@@H](C)C(Sc3nc4ccc(cc4s3)C#N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O

InChI Key: InChIKey=ASTKDAUIUVVSJM-QEJJIEOJSA-M

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50213268   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
PBP2A


(Staphylococcus aureus)		BDBM50213268
PNG
(CHEMBL410910)
Show SMILES [Na+].[H][C@]12[C@@H](C)C(Sc3nc4ccc(cc4s3)C#N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O |c:18|
Show InChI InChI=1S/C18H15N3O4S2/c1-7-13-12(8(2)22)16(23)21(13)14(17(24)25)15(7)27-18-20-10-4-3-9(6-19)5-11(10)26-18/h3-5,7-8,12-13,22H,1-2H3,(H,24,25)/p-1/t7-,8-,12-,13-/m1/s1
PDB

UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 3.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Penicillin-binding protein 2a from homogeneous MRSA COL strain using [3H]-radioligand

Citation and Details

BindingDB Entry DOI: 10.7270/Q26975R5
More data for this
Ligand-Target Pair