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BDBM36373 (5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)-imidazo[1,2-a]pyridine-6,7,8-triol. 1a::CID10013016

SMILES: OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12

InChI Key: InChIKey=RZRDQZQPTISYKY-JWXFUTCRSA-N

Data: 17 KI

PDB links: 12 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 17 hits for monomerid = 36373   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Alpha-1,2-mannosidase, putative


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
UniProtKB/TrEMBL

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PubMed
400n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3965 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair
Alpha-1,2-mannosidase, putative


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
UniProtKB/TrEMBL

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1.00E+3n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3130 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
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Article
PubMed
1.40E+3 -8.30n/an/an/an/an/a5.637



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
3D Structure (crystal)
Alpha-1,2-mannosidase, putative


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
UniProtKB/TrEMBL

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4.30E+4n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3994 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair
Alpha-1,2-mannosidase, putative


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
UniProtKB/TrEMBL

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UniChem

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PubMed
4.60E+4n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3991 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair
Alpha-1,2-mannosidase, putative


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
PDB
UniChem

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PubMed
7.00E+4n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2948 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair
Alpha-1,2-mannosidase, putative


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

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PubMed
9.00E+4n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2199 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair
Alpha-1,2-mannosidase, putative


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
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PC sid
PDB
UniChem

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PubMed
9.60E+4n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3990 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair
Alpha-1,2-mannosidase, putative


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
UniProtKB/TrEMBL

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UniChem

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PubMed
2.60E+5n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3858 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair
Alpha-1,2-mannosidase, putative


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
UniProtKB/TrEMBL

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UniChem

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PubMed
2.70E+5n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3962 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair
Alpha-1,2-mannosidase, putative


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
UniProtKB/TrEMBL

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UniChem

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PubMed
3.60E+5n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 4073 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair
GH92 alpha-mannosidase


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
PDB

UniProtKB/TrEMBL

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PubMed
6.00E+5n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 1032 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-1,2-mannosidase, putative


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
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PDB
UniChem

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PubMed
7.90E+5n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3963 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair
Alpha-1,2-mannosidase, putative


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

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PubMed
8.60E+5n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 4093 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair
Alpha-1,2-mannosidase, putative


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PubMed
1.60E+6n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 4092 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair
Alpha-1,2-mannosidase, putative


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
UniProtKB/TrEMBL

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UniChem

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PubMed
1.80E+6n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 1878 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair
Alpha-1,2-mannosidase, putative


(Bacteroides thetaiotaomicron )
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
UniProtKB/TrEMBL

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5.80E+6n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3784 assessed as reduction of mannose release using 4NP-mannopyranoside substrate


Nat Chem Biol 6: 125-32 (2010)


BindingDB Entry DOI: 10.7270/Q2ZW1PQB
More data for this
Ligand-Target Pair