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BDBM50078117 (1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL::(1R,2R,3R,4S,5R)-4-Amino-5-methylsulfanyl-cyclopentane-1,2,3-triol::CHEMBL9623::Mannostatin A, 1::Mannostatin A, 1a

SMILES: CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=BLOFGONIVNXZME-YDMGZANHSA-N

Data: 3 KI  1 IC50

PDB links: 2 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 4 hits for monomerid = 50078117   
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
Golgi alpha-mannosidase II


(Drosophila melanogaster (Fruit fly))
BDBM50078117
PNG
((1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTAN...)
Show SMILES CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
PubMed
36n/an/an/an/an/an/an/an/a



University of Toronto



Assay Description
The rate of hydrolysis catalyzed by drosophila golgi alpha-mannosidase II (dGMII)and in the presence of different concentration of inhibitor was meas...


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


(Homo sapiens (Human))
BDBM50078117
PNG
((1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTAN...)
Show SMILES CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
Article
PubMed
90 -9.99n/an/an/an/an/a5.637



University of Georgia





Citation and Details
More data for this
Ligand-Target Pair
Golgi alpha-mannosidase II


(Homo sapiens (Human))
BDBM50078117
PNG
((1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTAN...)
Show SMILES CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
Article
PubMed
210 -9.47n/an/an/an/an/a5.637



University of Georgia





Citation and Details
More data for this
Ligand-Target Pair
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B


(Drosophila melanogaster)
BDBM50078117
PNG
((1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTAN...)
Show SMILES CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster GM2b by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair