BDBM92962 ThDP

SMILES: Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O

InChI Key: InChIKey=AYEKOFBPNLCAJY-UHFFFAOYSA-O

Data: 4 KI  3 Kd

PDB links: 283 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 92962   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thiamine-binding periplasmic protein (Escherichia coli (strain K12))	BDBM92962 (ThDP) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a
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1-deoxy-D-xylulose-5-phosphate synthase (Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)	BDBM92962 (ThDP) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a
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1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM92962 (ThDP) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Electric eel)	BDBM92962 (ThDP) Show SMILES Show InChI	GoogleScholar	UniChem		5.84E+7	n/a	n/a	n/a	n/a	n/a	n/a	8.25	n/a
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Acetylcholinesterase (Electric eel)	BDBM92962 (ThDP) Show SMILES Show InChI	GoogleScholar	UniChem		1.42E+7	n/a	n/a	n/a	n/a	n/a	n/a	8.25	n/a
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Acetylcholinesterase (Electric eel)	BDBM92962 (ThDP) Show SMILES Show InChI	GoogleScholar	UniChem		1.46E+7	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
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Acetylcholinesterase (Electric eel)	BDBM92962 (ThDP) Show SMILES Show InChI	GoogleScholar	UniChem		6.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
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