BDBM50118242 ((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate::((2S,3R,4S,5S)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate::2-MeS-ADP::2-MeSADP::CHEMBL435402::[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

SMILES: CSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N

InChI Key: InChIKey=WLMZTKAZJUWXCB-UHFFFAOYSA-N

Data: 2 KI  7 IC50  90 EC50

PDB links: 3 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 99 hits for monomerid = 50118242   

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
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.90	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	8.60	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	67	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	418	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	595	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	9.20	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Wild turkey)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Wild turkey)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Rat)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	9.80	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	455	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	5.29E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	5.90	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Human)	BDBM50118242 ([({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair