BDBM50386412 CHEMBL2047302

SMILES: CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=GBRAQQUMMCVTAV-LXGUWJNJSA-N

Data: 1 KI  1 Kd

PDB links: 5 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50386412   

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
Beta-hexosaminidase (Pseudomonas aeruginosa)	BDBM50386412 (CHEMBL2047302) Show SMILES CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa PAO1 NagZ using PNP-GlcNAc as substrate assessed as release of 4-nitrophenolate ion after 4 mins by ...				ACS Med Chem Lett 3: 238-242 (2012) Article DOI: 10.1021/ml2002746 BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane-bound lytic murein transglycosylase B (Escherichia coli (strain K12))	BDBM50386412 (CHEMBL2047302) Show SMILES CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.74E+5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli K12 MG1655 His6x-tagged MltB lytic transglycosylase assessed as intrinsic fluorescence of tryptophan and/or tyro...				ACS Med Chem Lett 3: 238-242 (2012) Article DOI: 10.1021/ml2002746 BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
					More data for this Ligand-Target Pair