BDBM36436 (3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthio-methyl-3-hydroxypyrrolidine, 9::(3R,4S)-4-(1-Butylthiomethyl)-1-[(9-deaza-adenin-9-yl)methyl]-3-hydroxypyrrolidine, 9::CID11393519

SMILES: CCCCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O

InChI Key: InChIKey=LTSUEVPGSXUJHT-OLZOCXBDSA-N

Data: 1 KI

PDB links: 6 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 1 hit for monomerid = 36436   

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))	BDBM36436 ((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...) Show SMILES CCCCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O Show InChI InChI=1S/C16H25N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,18,22H,2-4,6-9H2,1H3,(H2,17,19,20)/t12-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.208	-13.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Purified MTAN activity in MTAN enzyme inhibition assay				Nat Chem Biol 5: 251-7 (2009) Article DOI: 10.1038/nchembio.153 BindingDB Entry DOI: 10.7270/Q28C9TM9
					More data for this Ligand-Target Pair				3D Structure (crystal)