BDBM15227 4-[4-({[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}methyl)-1H-1,2,3-triazol-1-yl]benzenesulfonamide::[(2R,3R,4S,5R,6R)-4,5-bis(acetyloxy)-6-{[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methoxy}-3-{[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate::glycoconjugate sulfonamide 11

SMILES CC(=O)OC[C@H]1O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

InChI Key InChIKey=UTNKRZDTQCZJAV-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 15227   

TargetCarbonic anhydrase 2(Human)
Griffith University

LigandPNGBDBM15227(4-[4-({[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-ac...)
Affinity DataKi:  7.80nM ΔG°:  -11.1kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2007
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Griffith University

LigandPNGBDBM15227(4-[4-({[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-ac...)
Affinity DataKi:  8.10nM ΔG°:  -11.0kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2007
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Griffith University

LigandPNGBDBM15227(4-[4-({[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-ac...)
Affinity DataKi:  345nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2007
Entry Details Article
PubMed