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There are 34 purchasable compounds for target: Pantothenate synthetase

Wt: 392.4
BDBM30881
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Wt: 274.1
BDBM34233
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Wt: 364.4
BDBM37287
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Wt: 392.8
BDBM37288
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Wt: 398.8
BDBM37289
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Wt: 437.2
BDBM37290
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Wt: 452.8
BDBM37291
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Wt: 330.7
BDBM37292
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Wt: 392.8
BDBM37293
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Wt: 370.8
BDBM37294
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Wt: 452.8
BDBM37295
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Wt: 336.3
BDBM37296
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Wt: 414.4
BDBM37297
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Wt: 384.8
BDBM37298
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Wt: 422.8
BDBM37299
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Displayed 1 to 15 (of 34 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 87 hits for monomerid = 30881,34233,37287,37288,37289,37290,37291,37292,37293,37294,37295,37296,37297,37298,37299   
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
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 1.56E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM30881
PNG
(5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...)
Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1
Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)
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n/an/a 0.150n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37287
PNG
(MLS000087275 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccs3)n2)cc1
Show InChI InChI=1S/C19H16N4O2S/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-16(25-22-15)17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,21,24)
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SRMLSC

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Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37288
PNG
(5-(4-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

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Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37289
PNG
(MLS000087278 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

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Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37290
PNG
(5-(4-bromophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Br)cc3)n2)cc1
Show InChI InChI=1S/C21H17BrN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

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Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37291
PNG
(MLS000087136 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(cc1OC)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-7-17(24)8-5-15)25-23(29)18-12-20(32-27-18)16-6-9-19(30-2)21(11-16)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

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Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37292
PNG
(MLS000087314 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H15ClN4O2/c1-10-7-15(18-16(22)14-8-11(2)23-20-14)19-21(10)9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19,22)
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SRMLSC

Curated by PubChem BioAssay


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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37293
PNG
(5-(3-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccc(Cl)c3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-5-7-15(8-6-14)13-26-10-9-20(24-26)23-21(27)18-12-19(28-25-18)16-3-2-4-17(22)11-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37294
PNG
(MLS000087378 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-17(22-24(12)11-13-6-8-14(20)9-7-13)21-19(25)18-15-4-2-3-5-16(15)26-23-18/h6-10H,2-5,11H2,1H3,(H,21,22,25)
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SRMLSC

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Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37295
PNG
(MLS000087189 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-6-16(24)7-5-15)25-23(29)19-12-21(32-27-19)18-11-17(30-2)8-9-20(18)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37296
PNG
(MLS000087377 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCc34)n2)cc1
Show InChI InChI=1S/C19H20N4O2/c1-13-6-8-14(9-7-13)12-23-11-10-17(21-23)20-19(24)18-15-4-2-3-5-16(15)25-22-18/h6-11H,2-5,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37297
PNG
(7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4ccn(Cc5ccc(C)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H22N4O3/c1-15-3-5-16(6-4-15)14-28-12-11-21(26-28)25-24(29)22-20-9-7-17-13-18(30-2)8-10-19(17)23(20)31-27-22/h3-6,8,10-13H,7,9,14H2,1-2H3,(H,25,26,29)
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SRMLSC

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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37298
PNG
(MLS000087406 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O2/c1-13-11-18(23-25(13)12-14-7-9-15(21)10-8-14)22-20(26)19-16-5-3-2-4-6-17(16)27-24-19/h7-11H,2-6,12H2,1H3,(H,22,23,26)
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SRMLSC

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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37299
PNG
(MLS000087085 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1cccc(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H19ClN4O3/c1-14-10-21(25-27(14)13-15-6-8-17(23)9-7-15)24-22(28)19-12-20(30-26-19)16-4-3-5-18(11-16)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)
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SRMLSC

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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM30881
PNG
(5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...)
Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1
Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)
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SRMLSC

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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37287
PNG
(MLS000087275 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccs3)n2)cc1
Show InChI InChI=1S/C19H16N4O2S/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-16(25-22-15)17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,21,24)
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SRMLSC

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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37288
PNG
(5-(4-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37289
PNG
(MLS000087278 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37290
PNG
(5-(4-bromophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Br)cc3)n2)cc1
Show InChI InChI=1S/C21H17BrN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37291
PNG
(MLS000087136 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(cc1OC)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-7-17(24)8-5-15)25-23(29)18-12-20(32-27-18)16-6-9-19(30-2)21(11-16)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37292
PNG
(MLS000087314 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H15ClN4O2/c1-10-7-15(18-16(22)14-8-11(2)23-20-14)19-21(10)9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19,22)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37293
PNG
(5-(3-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccc(Cl)c3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-5-7-15(8-6-14)13-26-10-9-20(24-26)23-21(27)18-12-19(28-25-18)16-3-2-4-17(22)11-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37294
PNG
(MLS000087378 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-17(22-24(12)11-13-6-8-14(20)9-7-13)21-19(25)18-15-4-2-3-5-16(15)26-23-18/h6-10H,2-5,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37295
PNG
(MLS000087189 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-6-16(24)7-5-15)25-23(29)19-12-21(32-27-19)18-11-17(30-2)8-9-20(18)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37296
PNG
(MLS000087377 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCc34)n2)cc1
Show InChI InChI=1S/C19H20N4O2/c1-13-6-8-14(9-7-13)12-23-11-10-17(21-23)20-19(24)18-15-4-2-3-5-16(15)25-22-18/h6-11H,2-5,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37297
PNG
(7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4ccn(Cc5ccc(C)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H22N4O3/c1-15-3-5-16(6-4-15)14-28-12-11-21(26-28)25-24(29)22-20-9-7-17-13-18(30-2)8-10-19(17)23(20)31-27-22/h3-6,8,10-13H,7,9,14H2,1-2H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37298
PNG
(MLS000087406 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O2/c1-13-11-18(23-25(13)12-14-7-9-15(21)10-8-14)22-20(26)19-16-5-3-2-4-6-17(16)27-24-19/h7-11H,2-6,12H2,1H3,(H,22,23,26)
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SRMLSC

Curated by PubChem BioAssay


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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37299
PNG
(MLS000087085 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1cccc(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H19ClN4O3/c1-14-10-21(25-27(14)13-15-6-8-17(23)9-7-15)24-22(28)19-12-20(30-26-19)16-4-3-5-18(11-16)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM30881
PNG
(5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...)
Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1
Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)
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SRMLSC

Curated by PubChem BioAssay


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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37287
PNG
(MLS000087275 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccs3)n2)cc1
Show InChI InChI=1S/C19H16N4O2S/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-16(25-22-15)17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37288
PNG
(5-(4-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37289
PNG
(MLS000087278 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37290
PNG
(5-(4-bromophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Br)cc3)n2)cc1
Show InChI InChI=1S/C21H17BrN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37291
PNG
(MLS000087136 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(cc1OC)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-7-17(24)8-5-15)25-23(29)18-12-20(32-27-18)16-6-9-19(30-2)21(11-16)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37292
PNG
(MLS000087314 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H15ClN4O2/c1-10-7-15(18-16(22)14-8-11(2)23-20-14)19-21(10)9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19,22)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37293
PNG
(5-(3-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccc(Cl)c3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-5-7-15(8-6-14)13-26-10-9-20(24-26)23-21(27)18-12-19(28-25-18)16-3-2-4-17(22)11-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37294
PNG
(MLS000087378 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-17(22-24(12)11-13-6-8-14(20)9-7-13)21-19(25)18-15-4-2-3-5-16(15)26-23-18/h6-10H,2-5,11H2,1H3,(H,21,22,25)
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SRMLSC

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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37295
PNG
(MLS000087189 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-6-16(24)7-5-15)25-23(29)19-12-21(32-27-19)18-11-17(30-2)8-9-20(18)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37296
PNG
(MLS000087377 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCc34)n2)cc1
Show InChI InChI=1S/C19H20N4O2/c1-13-6-8-14(9-7-13)12-23-11-10-17(21-23)20-19(24)18-15-4-2-3-5-16(15)25-22-18/h6-11H,2-5,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37297
PNG
(7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4ccn(Cc5ccc(C)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H22N4O3/c1-15-3-5-16(6-4-15)14-28-12-11-21(26-28)25-24(29)22-20-9-7-17-13-18(30-2)8-10-19(17)23(20)31-27-22/h3-6,8,10-13H,7,9,14H2,1-2H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37298
PNG
(MLS000087406 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O2/c1-13-11-18(23-25(13)12-14-7-9-15(21)10-8-14)22-20(26)19-16-5-3-2-4-6-17(16)27-24-19/h7-11H,2-6,12H2,1H3,(H,22,23,26)
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SRMLSC

Curated by PubChem BioAssay


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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37299
PNG
(MLS000087085 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1cccc(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H19ClN4O3/c1-14-10-21(25-27(14)13-15-6-8-17(23)9-7-15)24-22(28)19-12-20(30-26-19)16-4-3-5-18(11-16)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


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Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


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More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM30881
PNG
(5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...)
Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1
Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37287
PNG
(MLS000087275 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccs3)n2)cc1
Show InChI InChI=1S/C19H16N4O2S/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-16(25-22-15)17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37288
PNG
(5-(4-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37289
PNG
(MLS000087278 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37290
PNG
(5-(4-bromophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Br)cc3)n2)cc1
Show InChI InChI=1S/C21H17BrN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37291
PNG
(MLS000087136 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(cc1OC)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-7-17(24)8-5-15)25-23(29)18-12-20(32-27-18)16-6-9-19(30-2)21(11-16)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
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