BDBM50006222 (1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol::(neplanocinA)5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol::5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol::5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol (Neplanocin A)::5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol (Neplonocin A)::5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol(NP-A)::5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol(NPA)::5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol(neplanocin A)::CHEMBL8771::Neplanocin A

SMILES: c1nc(c2c(n1)n(cn2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N

InChI Key: InChIKey=XUGWUUDOWNZAGW-UHFFFAOYSA-N

Data: 5 KI  10 IC50

PDB links: 1 PDB ID matches 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 15 hits for monomerid = 50006222   

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
Adenosylhomocysteinase (Human)	BDBM50006222 (CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Human)	BDBM50006222 (CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Human)	BDBM50006222 (CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Human)	BDBM50006222 (CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Human)	BDBM50006222 (CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Human)	BDBM50006222 (CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mouse)	BDBM50006222 (CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Human)	BDBM50006222 (CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Human)	BDBM50006222 (CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Human)	BDBM50006222 (CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mouse)	BDBM50006222 (CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...) Show SMILES Show InChI	GoogleScholar	UniChem		3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Human)	BDBM50006222 (CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...) Show SMILES Show InChI	GoogleScholar	UniChem		3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Human)	BDBM50006222 (CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...) Show SMILES Show InChI	GoogleScholar	UniChem		3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Human)	BDBM50006222 (CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...) Show SMILES Show InChI	GoogleScholar	UniChem		3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rat)	BDBM50006222 (CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...) Show SMILES Show InChI	GoogleScholar	UniChem		8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair