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Compile Data Set for Download or QSAR

Found 617 hits Enz. Inhib. hit(s) with Target = '17-beta-hydroxysteroid dehydrogenase 13'   
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
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649050
PNG
(2,6-Difluoro-3-(5-(7-methoxy-4- azaspiro[2.5]octan...)
Show SMILES COC1CCN(c2cc3c(C)nn(-c4cc(c(F)c(O)c4F)C(F)(F)F)c3cn2)C2(CC2)C1
PDB

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n/an/a<100n/an/an/an/an/an/a


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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649051
PNG
(2,6-Difluoro-3-(3-methyl-5-(7- (methylsulfonyl)-4,...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCN(CC11CC1)S(C)(=O)=O
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649052
PNG
(3-(5-(Ethyl(tetrahydro-2H-pyran-4-yl)amino)-3- met...)
Show SMILES CCN(C1CCOCC1)c1cc2c(C)nn(-c3cc(c(F)c(O)c3F)C(F)(F)F)c2cn1
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649054
PNG
(2,6-Difluoro-3-(3-methyl-5-(4- (phenylsulfonyl)pip...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCN(CC1)S(=O)(=O)c1ccccc1
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649055
PNG
(2,6-Difluoro-3-(3-methyl-5-(4-((1-methyl-1H- pyraz...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCN(CC1)S(=O)(=O)c1cnn(C)c1
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649056
PNG
(2,6-Difluoro-3-(5-(4-(2- methoxyethoxy)piperidin-1...)
Show SMILES COCCOC1CCN(CC1)c1cc2c(C)nn(-c3cc(c(F)c(O)c3F)C(F)(F)F)c2cn1
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649062
PNG
(2,6-Difluoro-3-(3-methyl-5-(8-oxa-5- azaspiro[3.5]...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCOCC11CCC1
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649063
PNG
(2,6-Difluoro-3-(6-fluoro-3-methyl-5- (methyl(tetra...)
Show SMILES CN(C1CCOCC1)c1nc2c(C)nn(-c3cc(c(F)c(O)c3F)C(F)(F)F)c2cc1F
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649064
PNG
(2,6-Difluoro-3-(6-fluoro-3-methyl-5-(7-oxa-4- azas...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cc(F)c(cc12)N1CCOCC11CC1
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649065
PNG
(2,6-Difluoro-3-(6-fluoro-3-methyl-5- (methyl(tetra...)
Show SMILES CN(C1CCOCC1)c1cc2c(C)nn(-c3cc(c(F)c(O)c3F)C(F)(F)F)c2cc1F
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649066
PNG
(2,6-Difluoro-3-(3-methyl-5-(methyl(tetrahydro- 2H-...)
Show SMILES CN(C1CCOCC1)c1ccc2n(nc(C)c2c1)-c1cc(c(F)c(O)c1F)C(F)(F)F
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649067
PNG
(2,6-Difluoro-3-(5-(methyl(tetrahydro-2H-pyran- 4-y...)
Show SMILES CN(C1CCOCC1)c1ccc2n(ncc2c1)-c1cc(c(F)c(O)c1F)C(F)(F)F
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649074
PNG
(2,6-Difluoro-3-(5-(4-methoxypiperidin-1-yl)-3- met...)
Show SMILES COC1CCN(CC1)c1ncc2n(nc(C)c2n1)-c1cc(c(F)c(O)c1F)C(F)(F)F
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649075
PNG
(2,6-Difluoro-3-(3-methyl-5-(methyl(tetrahydro- 2H-...)
Show SMILES CN(C1CCOCC1)c1ncc2n(nc(C)c2n1)-c1cc(c(F)c(O)c1F)C(F)(F)F
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649076
PNG
(2,6-Difluoro-3-(3-methyl-5-(2,2,6,6- tetramethylmo...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(nc12)N1CC(C)(C)OC(C)(C)C1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649078
PNG
(2,6-Difluoro-3-(3-methyl-5-(4-oxa-7- azaspiro[2.5]...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(nc12)N1CCOC2(CC2)C1
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649079
PNG
(2,6-Difluoro-3-(3-methyl-5-(5-oxa-8- azaspiro[3.5]...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(nc12)N1CCOC2(CCC2)C1
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649080
PNG
(2,6-Difluoro-3-(3-methyl-5-(7- (phenylsulfonyl)-4,...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCN(CC11CC1)S(=O)(=O)c1ccccc1
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649081
PNG
(2,6-Difluoro-3-(3-methyl-5-(7-((1-methyl-1H- pyraz...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCN(CC11CC1)S(=O)(=O)c1cnn(C)c1
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649082
PNG
(2-Fluoro-5-(3-methyl-5-(7-oxa-4- azaspiro[2.5]octa...)
Show SMILES Cc1nn(-c2cc(O)c(F)c(c2)C(F)(F)F)c2cnc(cc12)N1CCOCC11CC1
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649091
PNG
(2,6-Difluoro-3-(3-methyl-5-(7-oxa-4- azaspiro[2.5]...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2ccc(cc12)N1CCOCC11CC1
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649097
PNG
(2,6-Difluoro-3-(6-fluoro-3-methyl-5-(7- (methylsul...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cc(F)c(cc12)N1CCN(CC11CC1)S(C)(=O)=O
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649101
PNG
(6-Chloro-2-fluoro-3-(6-fluoro-3-methyl-5-(7- (meth...)
Show SMILES Cc1nn(-c2ccc(Cl)c(O)c2F)c2cc(F)c(cc12)N1CCN(CC11CC1)S(C)(=O)=O
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649102
PNG
(2,6-Difluoro-3-(3-methyl-5-(1- (methylsulfonyl)-1,...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCN(C2(CCCCC2)C1)S(C)(=O)=O
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649104
PNG
(2,6-Difluoro-3-(3-methyl-5-(7- (methylsulfonyl)-4,...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(nc12)N1CCN(CC11CC1)S(C)(=O)=O
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649105
PNG
((R)-2,6-Difluoro-3-(3-methyl-5-(2- phenylmorpholin...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCO[C@@H](C1)c1ccccc1 |r|
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649107
PNG
(2-Chloro-6-fluoro-5-(6-fluoro-3-methyl-5-(7- (meth...)
Show SMILES Cc1nn(-c2cc(c(Cl)c(O)c2F)C(F)(F)F)c2cc(F)c(cc12)N1CCN(CC11CC1)S(C)(=O)=O
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649111
PNG
(3-(6-Chloro-3-methyl-5-(7-oxa-4- azaspiro[2.5]octa...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cc(Cl)c(nc12)N1CCOCC11CC1
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649112
PNG
(3-(6-Chloro-3-methyl-5-(methyl(tetrahydro-2H- pyra...)
Show SMILES CN(C1CCOCC1)c1nc2c(C)nn(-c3cc(c(F)c(O)c3F)C(F)(F)F)c2cc1Cl
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649113
PNG
(2-Chloro-6-fluoro-5-(3-methyl-5-(7-oxa-4- azaspiro...)
Show SMILES Cc1nn(-c2cc(c(Cl)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCOCC11CC1
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649163
PNG
(5-(5-(6-Azaspiro[2.5]octan-6-yl)-1H- pyrazolo[3,4-...)
Show SMILES Oc1cc(cc(c1F)C(F)(F)F)-n1ncc2cc(ncc12)N1CCC2(CC2)CC1
PDB

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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649172
PNG
(2-Fluoro-5-(3-fluoro-5-(4- (methylsulfonyl)piperaz...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1cc2c(F)nn(-c3cc(O)c(F)c(c3)C(F)(F)F)c2cn1
PDB

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Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642656
PNG
(US20230416268, Example 15)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1Cc1cncs1
PDB

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Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642657
PNG
(US20230416268, Example 16)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1Cc1nnn(C)n1
PDB

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Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642658
PNG
(US20230416268, Example 17)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCN1CCOCC1
PDB

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Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642659
PNG
(US20230416268, Example 18)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCN1CCN(C)CC1
PDB

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Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642660
PNG
(US20230416268, Example 19)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCN1CCNCC1
PDB

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Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642661
PNG
(US20230416268, Example 20)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCN1CCCCC1
PDB

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Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642662
PNG
(US20230416268, Example 21)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCNCc1ccncc1
PDB

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More data for this
Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642663
PNG
(US20230416268, Example 22)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCNCc1ccccn1
PDB

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Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642664
PNG
(US20230416268, Example 23)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCNCc1cccnc1
PDB

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Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642665
PNG
(US20230416268, Example 24)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCN1CCC(O)CC1
PDB

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Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642666
PNG
(US20230416268, Example 25)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCN(C)C
PDB

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Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642667
PNG
(US20230416268, Example 26)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCN(C)Cc1ccncc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642668
PNG
(US20230416268, Example 27)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCN(C)Cc1cccnc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642669
PNG
(US20230416268, Example 28)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCNCc1cnccn1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642670
PNG
(US20230416268, Example 29)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCNCc1cnc(OC)nc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642671
PNG
(US20230416268, Example 30)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCNCc1cn[nH]c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642672
PNG
(US20230416268, Example 31)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCNCc1cnc[nH]1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibronectin type 3 and ankyrin repeat domains protein 1


(Human)
BDBM642673
PNG
(US20230416268, Example 32)
Show SMILES COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCNCc1cncs1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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