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Found 888 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase NDM-1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM50174181
PNG
(CHEMBL3809806)
Show SMILES CCCCc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccccc2N)cc1
Show InChI InChI=1S/C20H23N5OS/c1-2-3-6-14-9-11-15(12-10-14)22-18(26)13-27-20-23-19(24-25-20)16-7-4-5-8-17(16)21/h4-5,7-12H,2-3,6,13,21H2,1H3,(H,22,26)(H,23,24,25)
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490n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Mixed type inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells assessed as hydrolysis of c...


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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM50131078
PNG
(3-formylchromones | 4-Oxo-4H-chromene-3-carbaldehy...)
Show SMILES O=Cc1coc2ccccc2c1=O
Show InChI InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H
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580n/an/an/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Time-dependent inhibition of wild type Klebsiella pneumoniae 6xHis-tagged metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21 (DE3)pLysS


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Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM50174175
PNG
(CHEMBL3808813)
Show SMILES Oc1ccc(cc1)-c1nnc(SCC(=O)Nc2cccc(Cl)c2)[nH]1
Show InChI InChI=1S/C16H13ClN4O2S/c17-11-2-1-3-12(8-11)18-14(23)9-24-16-19-15(20-21-16)10-4-6-13(22)7-5-10/h1-8,22H,9H2,(H,18,23)(H,19,20,21)
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630n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Mixed type inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells assessed as hydrolysis of c...


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM50131078
PNG
(3-formylchromones | 4-Oxo-4H-chromene-3-carbaldehy...)
Show SMILES O=Cc1coc2ccccc2c1=O
Show InChI InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H
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7.60E+4n/an/an/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Time-dependent inhibition of wild type Klebsiella pneumoniae 6xHis-tagged metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21 (DE3)pLysS ...


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More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM50129065
PNG
(CHEMBL3278535)
Show SMILES O=c1c(coc2ccccc12)C#N
Show InChI InChI=1S/C10H5NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,6H
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1.86E+5n/an/an/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate


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Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM50129065
PNG
(CHEMBL3278535)
Show SMILES O=c1c(coc2ccccc12)C#N
Show InChI InChI=1S/C10H5NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,6H
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1.86E+5n/an/an/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate


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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262675
PNG
(7-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)- 4-(trifluorom...)
Show SMILES NC(=O)c1cc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262700
PNG
(3-(2-amino-1,3-benzothiazol- 7-yl)-2-(1H-tetrazol-...)
Show SMILES Nc1nc2cccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2s1
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262715
PNG
(3-(2-amino-4-methyl-1H-benzo[d]imidazol-7-yl)-2-(1...)
Show SMILES Cc1ccc(-c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)C(F)(F)F)c2[nH]c(N)nc12
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262701
PNG
(3-(2-amino-8-quinolyl)-2-(2H- tetrazol-5-yl)-6- (t...)
Show SMILES Nc1ccc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)C(F)(F)F)c2n1
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262703
PNG
(3-(2-aminoquinazolin-5-yl)-2- (2H-tetrazol-5-yl)-6...)
Show SMILES Nc1ncc2c(cccc2n1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262688
PNG
(3-(2-Aminobenzo[d]thiazol-4-yl)-6- (2-(4-aminocycl...)
Show SMILES NC1CCC(CCc2ccc(-c3cccc4sc(N)nc34)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262698
PNG
(3-(2-amino-3H-benzimidazol- 4-yl)-2-(1H-tetrazol-5...)
Show SMILES Nc1nc2cccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262705
PNG
(3-(2-aminoquinazolin-8-yl)-2- (2H-tetrazol-5-yl)-6...)
Show SMILES Nc1ncc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)C(F)(F)F)c2n1
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262571
PNG
(3-(2-amino-1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5...)
Show SMILES Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262972
PNG
(4-[4-[3-sulfamoyl-2-(1H-tetrazol-5- yl)-4- (triflu...)
Show SMILES NC(=N)N1CCC(CC1)[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262634
PNG
(3-(Quinolin-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluor...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262686
PNG
(3-(4-(2-Aminobenzo[d]thiazol-4-yl)- 2-sulfamoyl-3-...)
Show SMILES NC(=O)CCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262687
PNG
(3-(2-Aminobenzo[d]thiazol-4-yl)-6- (2-(piperidin-4...)
Show SMILES Nc1nc2c(cccc2s1)-c1ccc(CCC2CCNCC2)c(c1-c1nn[nH]n1)S(N)(=O)=O
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262716
PNG
(3-(2-amino-5-cyano-1H-benzo[d]imidazol-7-yl)-2-(1H...)
Show SMILES Nc1nc2cc(cc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1)C#N
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262887
PNG
(4'-(4-hydroxypiperidin-1-yl)-2- (1H-tetrazol-5-yl)...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)N2CCC(O)CC2)c1-c1nnn[nH]1)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262713
PNG
(3-(2-amino-5-fluoro-1H-benzo[d]imidazol-7-yl)-2-(1...)
Show SMILES Nc1nc2cc(F)cc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262696
PNG
(3-(2-amino-1,3-benzothiazol- 6-yl)-2-(1H-tetrazol-...)
Show SMILES Nc1nc2ccc(cc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262282
PNG
(3-(2-aminobenzo[d]thiazol- 4-yl)-2-(1H-tetrazol-5-...)
Show SMILES Nc1nc2c(cccc2s1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262569
PNG
(3-(2-Bromobenzo[d]thiazol-4-yl)-2-(1H-tetrazol-5-y...)
Show SMILES NS(=O)(=O)c1cccc(-c2cccc3sc(Br)nc23)c1-c1nnn[nH]1
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262714
PNG
(3-(2-amino-5-(trifluoromethyl)-1H-benzo[d]imidazol...)
Show SMILES Nc1nc2cc(cc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262717
PNG
(3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(1H-te...)
Show SMILES Nc1nc2nccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262429
PNG
(6-(3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl)isoquino...)
Show SMILES NC(=O)c1nccc2cc(ccc12)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262571
PNG
(3-(2-amino-1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5...)
Show SMILES Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262855
PNG
(3-(1H-pyrrolo[2,3-b]pyridin-5- yl)-2-(1H-tetrazol-...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cnc3[nH]ccc3c2)c1-c1nnn[nH]1)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262890
PNG
(3-(2-amino-4-fluoro-1,3- benzothiazol-6-yl)-2-(1H-...)
Show SMILES Nc1nc2c(F)cc(cc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262639
PNG
(3-cyclohexyl-2-(1H-tetrazol-5-yl)-6- (trifluoromet...)
Show SMILES NS(=O)(=O)c1c(ccc(C2CCCCC2)c1-c1nnn[nH]1)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262706
PNG
(3-[4-(2-hydroxy-1H-imidazol- 4-yl)phenyl]-2-(1H-te...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)-c2c[nH]c(O)[nH+]2)c1-c1nnn[nH]1)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262681
PNG
(3-(2-Aminobenzo[d]thiazol-4-yl)-6- (5-hydroxypenty...)
Show SMILES Nc1nc2c(cccc2s1)-c1ccc(CCCCCO)c(c1-c1nn[nH]n1)S(N)(=O)=O
PDB

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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262973
PNG
(9-[3-sulfamoyl-2-(1H-tetrazol-5-yl)- 4-(trifluorom...)
Show SMILES NC(=N)N1CCC2(CCC(CC2)c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)C(F)(F)F)CC1
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262979
PNG
(3-((1r,4r)-4-(piperidin-4-yl)cyclohexyl)-2-(1H-tet...)
Show SMILES NS(=O)(=O)c1c(ccc([C@H]2CCC(CC2)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262620
PNG
(4-(4′-(2-(4-guanidinocyclohexyl)ethyl)-3R...)
Show SMILES NC(=N)NC1CCC(CCc2ccc(-c3ccc(cc3)C3CCN(CC3)C(N)=N)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1
PDB

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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262644
PNG
(3-((trans 4-hydroxycyclohexyl)-2-(1H-tetrazol-5-yl...)
Show SMILES NS(=O)(=O)c1c(ccc(C2CC[C@H](O)CC2)c1-c1nnn[nH]1)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262650
PNG
(3-(cis 4-(guanidinomethyl)cyclohexyl)-2-(1H-tetraz...)
Show SMILES NC(=N)NC[C@H]1CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262622
PNG
(3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2- (1H-tetrazol-...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cnc3cc[nH]c3c2)c1-c1nnn[nH]1)C(F)(F)F
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262879
PNG
(4'-(2-amino-1,3-thiaozl-4-yl)-2- (1H-tetrazol-5-yl...)
Show SMILES Nc1nc(cs1)-c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
PDB

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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262672
PNG
(3-(1-Oxoisoindolin-4-yl)-2-(2H- tetrazol-5-yl)-6- ...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3C(=O)NCc23)c1-c1nn[nH]n1)C(F)(F)F
PDB

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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262467
PNG
(3-(quinolin-4-yl)-2-(2H-tetrazol- 5-yl)benzenesulf...)
Show SMILES NS(=O)(=O)c1cccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1
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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262563
PNG
(3-(8-amino-5-isoquinolyl)-2-(1H- tetrazol-5-yl)ben...)
Show SMILES Nc1ccc(-c2cccc(c2-c2nnn[nH]2)S(N)(=O)=O)c2ccncc12
PDB

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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262421
PNG
(US9708336, 273)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1)C(F)(F)F
PDB

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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262679
PNG
(3-(2-Aminobenzo[d]thiazol-4-yl)-6- (1-fluoro-2-hyd...)
Show SMILES Nc1nc2c(cccc2s1)-c1ccc(C(F)CO)c(c1-c1nn[nH]n1)S(N)(=O)=O
PDB

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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262662
PNG
(3-(Isoquinolin-5-yl)-2-(2H-tetrazol-5- yl)-6- (tri...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3cnccc23)c1-c1nn[nH]n1)C(F)(F)F
PDB

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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262287
PNG
(3-(8-methylimidazo[1,2-a] pyridin-3-yl)-2-(1H- tet...)
Show SMILES Cc1cccn2c(cnc12)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
PDB

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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262223
PNG
(4'-(1H-tetrazol-5-yl)-2-(2H- tetrazol-5-yl)bipheny...)
Show SMILES NS(=O)(=O)c1cccc(-c2ccc(cc2)-c2nnn[nH]2)c1-c1nn[nH]n1
PDB

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Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262174
PNG
(4'-[(4R,5S)-4-methyl-2-oxo-1,3- oxazolidin-5-yl]-2...)
Show SMILES C[C@H]1NC(=O)O[C@H]1c1ccc(cc1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
PDB

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Ligand-Target Pair
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