BDBM50183258 2-amino-4-[5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-ylmethylsulfanyl]-butyric acid::CHEMBL207655

SMILES: NC(CCSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c(N)ncnc12)C(O)=O

InChI Key: InChIKey=JRAXJFBRKJWNNL-LJJGLLTISA-N

Data: 1 KI

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 = 50183258   

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
Methylthioadenosine Nucleosidase(MTAN) (Escherichia coli (strain K12))	BDBM50183258 (2-amino-4-[5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7...) Show SMILES NC(CCSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C15H22N6O4S/c16-7(15(24)25)1-2-26-4-8-12(22)13(23)10(21-8)6-3-18-11-9(6)19-5-20-14(11)17/h3,5,7-8,10,12-13,18,21-23H,1-2,4,16H2,(H,24,25)(H2,17,19,20)/t7?,8-,10+,12-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli MTAN				Bioorg Med Chem Lett 16: 2662-5 (2006) Article DOI: 10.1016/j.bmcl.2006.02.029 BindingDB Entry DOI: 10.7270/Q2RJ4J20
					More data for this Ligand-Target Pair				3D Structure (docked)