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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
(Institution)
LigandTarget
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
pHTemp
°C
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36392
PNG
((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

SMPDB pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
1.30E+4 -6.93n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)