BDBM36388 BDBM36404::CID54445::Octahydro-indolizine-1,6,7,8-tetraol, 13

SMILES: O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12

InChI Key: InChIKey=JDVVGAQPNNXQDW-TVNFTVLESA-N

Data: 1 KI  1 Kd

PDB links: 7 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 2 hits for monomerid = 36388   

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)	BDBM36388 (BDBM36404 | CID54445 | Octahydro-indolizine-1,6,7,...) Show SMILES O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12 Show InChI InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.30E+7	-2.32	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 (docked)
Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase (Homo sapiens)	BDBM36388 (BDBM36404 | CID54445 | Octahydro-indolizine-1,6,7,...) Show SMILES O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12 Show InChI InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	9.43E+4	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant hexa-histidine-tagged human full-length N-GLY1 catalytic domain expressed in Escherichia coli BL21 (DE3) by thermal s...				Bioorg Med Chem 24: 4750-4758 (2016) Article DOI: 10.1016/j.bmc.2016.08.019
					More data for this Ligand-Target Pair