BDBM36392 (1R,4R,5R,7R,8R)-2-Benzyl-5-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-4,7,8-triol, 4a::CID10016442

SMILES: OC[C@H]1C[C@@H]2[C@@H](O)[C@@H](O)[C@@]1(O)CN2Cc1ccccc1

InChI Key: InChIKey=XOLGFLJPIWWVBX-KJWHEZOQSA-N

Data: 1 KI

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 1 hit for monomerid = 36392   

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
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36392 ((1R,4R,5R,7R,8R)-2-Benzyl-5-(hydroxymethyl)-2-azab...) Show SMILES OC[C@H]1C[C@@H]2[C@@H](O)[C@@H](O)[C@@]1(O)CN2Cc1ccccc1 |THB:13:12:7.5:2.3| Show InChI InChI=1S/C15H21NO4/c17-8-11-6-12-13(18)14(19)15(11,20)9-16(12)7-10-4-2-1-3-5-10/h1-5,11-14,17-20H,6-9H2/t11-,12-,13-,14-,15-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.30E+4	-6.93	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
					More data for this Ligand-Target Pair				3D Structure (crystal)