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SMILES: [H][C@]12CC(Sc3nc4cc(C[n+]5ccn(C)c5)ccc4s3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O

InChI Key: InChIKey=CESNVPLHUBZICM-JDSLSITLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50213260   
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)		BDBM50213260
PNG
(CHEMBL34381)
Show SMILES [H][C@]12CC(Sc3nc4cc(C[n+]5ccn(C)c5)ccc4s3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O |c:23|
Show InChI InChI=1S/C21H20N4O4S2/c1-11(26)17-14-8-16(18(20(28)29)25(14)19(17)27)31-21-22-13-7-12(3-4-15(13)30-21)9-24-6-5-23(2)10-24/h3-7,10-11,14,17,26H,8-9H2,1-2H3/t11-,14-,17-/m1/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
n/an/a 876n/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