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BDBM15231 4-[4-({[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-1H-1,2,3-triazol-1-yl]benzene-1-sulfonamide::4-{4-[(beta-D-ribofuranosyloxy)methyl]-1H-1,2,3-triazol-1-yl}benzenesulfonamide::glycoconjugate sulfonamide 15

SMILES: NS(=O)(=O)c1ccc(cc1)-n1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1

InChI Key: InChIKey=LRXFNZWLYRPLKR-AAVRWANBSA-N

Data: 3 KI

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 3 hits for monomerid = 15231   
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM15231
PNG
(4-[4-({[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymeth...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C14H18N4O7S/c15-26(22,23)10-3-1-9(2-4-10)18-5-8(16-17-18)7-24-14-13(21)12(20)11(6-19)25-14/h1-5,11-14,19-21H,6-7H2,(H2,15,22,23)/t11-,12-,13-,14-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
4.20n/an/an/an/an/an/an/an/a



Griffith University



Assay 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...


J Med Chem 50: 1651-7 (2007)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2668BFJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM15231
PNG
(4-[4-({[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymeth...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C14H18N4O7S/c15-26(22,23)10-3-1-9(2-4-10)18-5-8(16-17-18)7-24-14-13(21)12(20)11(6-19)25-14/h1-5,11-14,19-21H,6-7H2,(H2,15,22,23)/t11-,12-,13-,14-/m1/s1
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PC sid
UniChem

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Article
PubMed
69n/an/an/an/an/an/an/an/a



Griffith University



Assay 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...


J Med Chem 50: 1651-7 (2007)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2668BFJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM15231
PNG
(4-[4-({[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymeth...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C14H18N4O7S/c15-26(22,23)10-3-1-9(2-4-10)18-5-8(16-17-18)7-24-14-13(21)12(20)11(6-19)25-14/h1-5,11-14,19-21H,6-7H2,(H2,15,22,23)/t11-,12-,13-,14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40E+3 -7.30n/an/an/an/an/a7.525



Griffith University



Assay 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...


J Med Chem 50: 1651-7 (2007)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2668BFJ
More data for this
Ligand-Target Pair