BDBM10851 (4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-1,3,5,2-furo[3,2-d][1,3,2]dioxaphosphinin-2-one::(4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide::ADENOSINE-3 ,5 -CYCLIC-MONOPHOSPHATE::Cyclic adenosine monophosphate::cAMP::cid_23902375

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O

InChI Key: InChIKey=IVOMOUWHDPKRLL-KQYNXXCUSA-N

Data: 1 IC50  15 ITC

PDB links: 33 PDB IDs match this monomer. 65 PDB IDs contain inhibitors having a similarity of 90% to 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 1 hit for monomerid = 10851   

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
cyclic AMP receptor protein (Vibrio cholerae O1 biovar El Tor str. N16961)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O Show InChI InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB PCBioAssay	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2HD7T8K
					More data for this Ligand-Target Pair				3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 15 hits for monomerid = 10851

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Heat Shock Protein 90 (Hsp90) (Saccharomyces cerevisiae (Baker s yeast))	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-5.61	5.80	-11.4	4.34	8	10
University College London					J Mol Biol 392: 923-36 (2009)
Heat Shock Protein 90 (Hsp90) (Saccharomyces cerevisiae (Baker s yeast))	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-5.40	6.07	-11.5	4.08	8	15
University College London					J Mol Biol 392: 923-36 (2009)
Heat Shock Protein 90 (Hsp90) (Saccharomyces cerevisiae (Baker s yeast))	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-5.09	4.97	-10.1	3.70	8	25
University College London					J Mol Biol 392: 923-36 (2009)
cAMP-activated global transcriptional regulator CRP (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-6.59	-14.8	8.19	4.91	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-7.00	-3.92	-2.70	5.26	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-6.90	-4.91	-2.01	5.08	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-6.09	-6.98	0.693	4.56	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-7.28	-5.48	-1.89	5.43	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-7.69	-13.7	6.09	5.61	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-6.81	-3.92	-2.89	4.91	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-6.59	-16.4	9.79	4.91	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-6.81	-2.28	-4.59	4.91	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-7.19	-19.9	12.3	5.26	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-7.19	-4.98	-2.20	5.26	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-6.90	-14.1	7.19	5.08	7.80	25
Durham University					PLoS Biol 11: (2013)