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Compile Data Set for Download or QSAR

Found 294 hits Enz. Inhib. hit(s) with all data for entry = 11778   
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
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646556
PNG
(6-chloro-N-[5-(3- fluoropropyl)-4,6-dimethoxy- pyr...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1CCCF
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646601
PNG
(6-chloro-7- (difluoromethylthio)-N-[5-(2- fluoroet...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(SC(F)F)c(Cl)ccc23)nc(OC)c1OCCF
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646694
PNG
(6-chloro-N-[5-(2,2- difluoroethyl)-4-methoxy- pyri...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(SC(F)F)c(Cl)ccc23)ncc1CC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646555
PNG
(6-chloro-N-[5-(2,2- difluoroethyl)-4,6-dimethoxy- ...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1CC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646738
PNG
(6-bromo-N-[5-(2-cyanoethyl)- 4,6-dimethoxy-pyrimid...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(F)c(Br)ccc23)nc(OC)c1CCC#N
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646563
PNG
(6-chloro-N-[5-(2-cyanoethyl)- 4,6-dimethoxy-pyrimi...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1CCC#N
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646588
PNG
(6-bromo-N-[5-(2-cyanoethyl)- 4,6-dimethoxy-pyrimid...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Br)ccc23)nc(OC)c1CCC#N
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646598
PNG
(N-[5-(2-cyanoethyl)-4,6- dimethoxy-pyrimidin-2-yl]...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(ccc23)C(F)F)nc(OC)c1OCC#N
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646548
PNG
(6-chloro-N-[5-(2- fluoroethoxy)-4,6-dimethoxy- pyr...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1OCCF
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646655
PNG
(6-bromo-N-(4,6-dimethoxy-5- methyl-pyrimidin-2-yl)...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3nc(Br)ccc23)nc(OC)c1C
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646602
PNG
(6-chloro-N-[5-(2-cyanoethyl)- 4,6-dimethoxy-pyrimi...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(SC(F)F)c(Cl)ccc23)nc(OC)c1CCC#N
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646557
PNG
(6-chloro-N-[5-(3,3- difluoropropyl)-4,6- dimethoxy...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1CCC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646516
PNG
(6-chloro-N-[5-(3- fluoropropyl)-4-methoxy- pyrimid...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)ncc1CCCF
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646606
PNG
(6-bromo-N-[5-(2,2- difluoroethyl)-4,6-dimethoxy- p...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3nc(Br)ccc23)nc(OC)c1CC(F)CF
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646681
PNG
(6-chloro-N-[5-(2,2- difluoroethyl)-4-methoxy- pyri...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(OC)c(Cl)ccc23)ncc1CC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646554
PNG
(6-chloro-N-[5-(2-fluoroethyl)- 4,6-dimethoxy-pyrim...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1CCF
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646551
PNG
(N-(5-allyl-4,6-dimethoxy- pyrimidin-2-yl)-6-chloro...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1CC=C
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646778
PNG
(US20240025883, Example 283)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(Br)c(Cl)ccc23)nc(OC)c1CC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646597
PNG
(N-[5-(2,2-difluoroethoxy)-4,6- dimethoxy-pyrimidin...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(ccc23)C(F)F)nc(OC)c1OCC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646600
PNG
(6-chloro-N-[5-(2-cyanoethyl)- 4-methoxy-pyrimidin-...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(SC(F)F)c(Cl)ccc23)ncc1CCC#N
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646636
PNG
(7-bromo-6-chloro-N-[5-(2- fluoroethoxy)-4-methoxy-...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(Br)c(Cl)ccc23)ncc1OCCF
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646760
PNG
(6-chloro-N-[5- (cyanomethoxy)-4,6- dimethoxy-pyrim...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1OCC#N
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646747
PNG
(N-[5-(2-cyanoethyl)-4,6- dimethoxy-pyrimidin-2-yl]...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(F)c(ccc23)C(F)F)nc(OC)c1CCC#N
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646702
PNG
(6-chloro-N-[5-(3,3- difluoropropyl)-4-methoxy- pyr...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(F)c(Cl)ccc23)ncc1CCC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646713
PNG
(6-chloro-N-[5-(2-cyanoethyl)- 4,6-dimethoxy-pyrimi...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(F)c(Cl)ccc23)nc(OC)c1CCC#N
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646731
PNG
(N-[5-(2,2-difluoroethyl)-4,6- dimethoxy-pyrimidin-...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(ccc23)C(F)F)nc(OC)c1CC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646564
PNG
(6-chloro-N-(5-cyclopropyl- 4,6-dimethoxy-pyrimidin...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1C1CC1
PDB

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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646667
PNG
(US20240025883, Example 172)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3nc(Br)ccc23)nc(OC)c1OC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646607
PNG
(6-bromo-N-[5-(3,3- difluoropropyl)-4,6- dimethoxy-...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3nc(Br)ccc23)nc(OC)c1CCC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646616
PNG
(6-chloro-N-[5-(3,3- difluoropropyl)-4,6- dimethoxy...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3nc(Cl)ccc23)nc(OC)c1CCC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646739
PNG
(6-bromo-N-[5- (cyanomethoxy)-4,6- dimethoxy-pyrimi...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(F)c(Br)ccc23)nc(OC)c1OCC#N
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646729
PNG
(6-chloro-N-[5-(2,2- difluoroethyl)-4-methoxy- pyri...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(SC)c(Cl)ccc23)ncc1CC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646691
PNG
(6-bromo-N-[5-(2,2- difluoroethyl)-4-methoxy- pyrim...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(OC)c(Br)ccc23)ncc1CC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646549
PNG
(6-chloro-N-[5-(2,2- difluoroethoxy)-4,6- dimethoxy...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1OCC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646712
PNG
(6-chloro-N-[5-(2,2- difluoroethyl)-4,6-dimethoxy- ...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(F)c(Cl)ccc23)nc(OC)c1CC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646553
PNG
(6-chloro-N-(4,6-dimethoxy-5- propyl-pyrimidin-2-yl...)
Show SMILES CCCc1c(OC)nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc1OC
PDB

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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646550
PNG
(6-chloro-N-[4,6-dimethoxy-5- (1,1,2- trifluoroetho...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1OC(F)(F)CF
PDB

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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646587
PNG
(6-bromo-N-[5-(2,2- difluoroethoxy)-4,6- dimethoxy-...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Br)ccc23)nc(OC)c1OCC(F)F
PDB

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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646714
PNG
(6-chloro-N-[5- (cyanomethoxy)-4,6- dimethoxy-pyrim...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(F)c(Cl)ccc23)nc(OC)c1OCC#N
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Citation and Details
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646705
PNG
(6,7-dichloro-N-[5-(2,2- difluoroethyl)-4-methoxy- ...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(Cl)c(Cl)ccc23)ncc1CC(F)F
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Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646682
PNG
(6-chloro-N-[5-(3,3- difluoropropyl)-4-methoxy- pyr...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(OC)c(Cl)ccc23)ncc1CCC(F)F
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More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646512
PNG
(6-chloro-N-(4,6-dimethoxy-5- methyl-pyrimidin-2-yl...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1C
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More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646741
PNG
(6-bromo-N-[5- (cyanomethoxy)-4,6- dimethoxy-pyrimi...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Br)ccc23)nc(OC)c1OCC#N
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More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646561
PNG
(6-chloro-N-[4,6-dimethoxy-5- (2-methoxyethyl)pyrim...)
Show SMILES COCCc1c(OC)nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc1OC
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Citation and Details
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646542
PNG
(6-chloro-N-[5-(2,2- difluoroethyl)-4-methoxy- pyri...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)ncc1CC(F)F
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Citation and Details
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646664
PNG
(N-[5-(2,2-difluoroethyl)-4,6- dimethoxy-pyrimidin-...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c2ccc2cccnc32)nc(OC)c1CC(F)F
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Citation and Details
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646747
PNG
(N-[5-(2-cyanoethyl)-4,6- dimethoxy-pyrimidin-2-yl]...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(F)c(ccc23)C(F)F)nc(OC)c1CCC#N
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Citation and Details
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646687
PNG
(6-chloro-N-[5-(2,2- difluoroethyl)-4-methoxy- pyri...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3c(C)c(Cl)ccc23)ncc1CC(F)F
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Citation and Details
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646507
PNG
(N-(5-bromo-4,6-dimethoxy- pyrimidin-2-yl)-6-chloro...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1Br
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Citation and Details
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM646608
PNG
(6-bromo-N-[5-(2-cyanoethyl)- 4,6-dimethoxy-pyrimid...)
Show SMILES COc1nc(NS(=O)(=O)c2c[nH]c3nc(Br)ccc23)nc(OC)c1CCC#N
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Citation and Details
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Ligand-Target Pair
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