SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'IBP'


List of Similar Pattern of Amino Acids


Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Dali
Z-score
Seq.
Identity (%)
View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CQE_A_FLPA1650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.41A 1cqeA-4ph9A:
59.1
1cqeA-4ph9A:
63.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CQE_B_FLPB2650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.42A 1cqeB-4ph9A:
59.2
1cqeB-4ph9A:
63.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
8 / 9 VAL A 117
ARG A 121
VAL A 350
TYR A 356
LEU A 360
ALA A 528
SER A 531
LEU A 532
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.55A 1eqgA-4ph9A:
59.2
1eqgA-4ph9A:
63.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 11 VAL A 117
ARG A 121
VAL A 350
SER A 354
TYR A 356
LEU A 360
TYR A 386
ALA A 528
SER A 531
LEU A 532
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.50A 1eqgB-4ph9A:
59.3
1eqgB-4ph9A:
63.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EQH_A_FLPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 VAL A 117
ARG A 121
VAL A 350
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.28A 1eqhA-4ph9A:
59.5
1eqhA-4ph9A:
63.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EQH_B_FLPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 VAL A 117
ARG A 121
VAL A 350
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.32A 1eqhB-4ph9A:
59.5
1eqhB-4ph9A:
63.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 10 VAL A 117
ARG A 121
PHE A 206
VAL A 229
VAL A 345
TYR A 349
VAL A 350
ASN A 376
LEU A 532
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
None
None
None
None
IBP  A 601 (-4.3A)
EDO  A 616 (-4.4A)
IBP  A 601 ( 4.9A)
0.41A 1fe2A-4ph9A:
58.4
1fe2A-4ph9A:
63.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
6 / 12 PHE A 206
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
None
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
1.29A 1fe2A-4ph9A:
58.4
1fe2A-4ph9A:
63.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 PHE A 210
LEU A 353
PHE A 382
TYR A 386
TRP A 388
PHE A 519
GLY A 527
ALA A 528
SER A 531
GLY A 534
LEU A 535
EDO  A 616 (-3.5A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.8A)
None
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
EDO  A 616 (-3.0A)
EDO  A 616 ( 4.4A)
0.64A 1fe2A-4ph9A:
58.4
1fe2A-4ph9A:
63.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 PHE A 210
LEU A 353
TYR A 356
PHE A 382
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
GLY A 534
LEU A 535
EDO  A 616 (-3.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
EDO  A 616 (-3.0A)
EDO  A 616 ( 4.4A)
0.37A 1fe2A-4ph9A:
58.4
1fe2A-4ph9A:
63.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IGX_A_EPAA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 PHE A 206
PHE A 210
LEU A 353
TYR A 356
PHE A 382
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
GLY A 534
LEU A 535
None
EDO  A 616 (-3.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
EDO  A 616 (-3.0A)
EDO  A 616 ( 4.4A)
0.53A 1igxA-4ph9A:
58.1
1igxA-4ph9A:
63.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IGX_A_EPAA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
6 / 12 PHE A 211
LEU A 353
TYR A 356
PHE A 382
ALA A 528
SER A 531
HEM  A 602 (-4.6A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
1.50A 1igxA-4ph9A:
58.1
1igxA-4ph9A:
63.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PTH_A_SALA710_1
(PROSTAGLANDIN H2
SYNTHASE-1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
7 / 7 VAL A 117
ARG A 121
VAL A 350
LEU A 353
TYR A 356
ALA A 528
LEU A 532
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.53A 1pthA-4ph9A:
58.7
1pthA-4ph9A:
63.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PTH_B_SALB711_1
(PROSTAGLANDIN H2
SYNTHASE-1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
7 / 7 VAL A 117
ARG A 121
VAL A 350
LEU A 353
TYR A 356
ALA A 528
LEU A 532
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.53A 1pthB-4ph9A:
58.7
1pthB-4ph9A:
63.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PXX_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 10 VAL A 350
LEU A 353
LEU A 385
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.53A 1pxxA-4ph9A:
63.3
1pxxA-4ph9A:
96.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PXX_B_DIFB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 9 VAL A 350
LEU A 353
LEU A 385
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.51A 1pxxB-4ph9A:
63.3
1pxxB-4ph9A:
96.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PXX_C_DIFC2701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
LEU A 385
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.51A 1pxxC-4ph9A:
63.4
1pxxC-4ph9A:
96.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PXX_D_DIFD3701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 10 VAL A 350
LEU A 353
TYR A 356
LEU A 385
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.48A 1pxxD-4ph9A:
63.3
1pxxD-4ph9A:
96.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A58_D_RBFD303_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo
sapiens)
5 / 11 ILE A 412
TRP A 442
GLY A 362
LEU A 270
HIS A 233
None
None
IBP  A1570 (-3.9A)
None
None
1.45A 2a58C-2wd9A:
3.1
2a58D-2wd9A:
2.3
2a58C-2wd9A:
14.24
2a58D-2wd9A:
14.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.64A 2aylA-4ph9A:
59.3
2aylA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.45A 2aylA-4ph9A:
59.3
2aylA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 VAL A 350
LEU A 353
LEU A 360
TYR A 386
TRP A 388
PHE A 519
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.88A 2aylA-4ph9A:
59.3
2aylA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 VAL A 350
LEU A 353
LEU A 360
TYR A 386
TRP A 388
PHE A 519
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.74A 2aylA-4ph9A:
59.3
2aylA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AYL_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.57A 2aylB-4ph9A:
59.4
2aylB-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AYL_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.32A 2aylB-4ph9A:
59.4
2aylB-4ph9A:
64.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD5_B_CHDB1103_0
(FERROCHELATASE)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
4 / 8 LEU A 360
SER A 120
VAL A 524
GLY A 527
IBP  A 601 ( 4.7A)
BOG  A 604 (-2.8A)
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
1.04A 2qd5B-4ph9A:
undetectable
2qd5B-4ph9A:
21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HS6_A_EPAA1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 117
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 535
BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
EDO  A 616 ( 4.4A)
0.37A 3hs6A-4ph9A:
63.3
3hs6A-4ph9A:
99.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HS6_A_EPAA1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 117
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.62A 3hs6A-4ph9A:
63.3
3hs6A-4ph9A:
99.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HS6_B_EPAB1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 PHE A 210
GLY A 228
TYR A 356
ASN A 376
ILE A 378
PHE A 382
ALA A 528
SER A 531
GLY A 534
EDO  A 616 (-3.5A)
EDO  A 616 ( 4.5A)
IBP  A 601 (-4.5A)
EDO  A 616 (-4.4A)
None
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
EDO  A 616 (-3.0A)
0.72A 3hs6B-4ph9A:
63.6
3hs6B-4ph9A:
99.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HS6_B_EPAB1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 PHE A 210
GLY A 228
TYR A 356
ASN A 376
ILE A 378
PHE A 382
TYR A 386
GLY A 527
ALA A 528
GLY A 534
LEU A 535
EDO  A 616 (-3.5A)
EDO  A 616 ( 4.5A)
IBP  A 601 (-4.5A)
EDO  A 616 (-4.4A)
None
None
IBP  A 601 (-4.8A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
EDO  A 616 (-3.0A)
EDO  A 616 ( 4.4A)
0.38A 3hs6B-4ph9A:
63.6
3hs6B-4ph9A:
99.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HS6_B_EPAB1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
6 / 12 PHE A 211
TYR A 356
ILE A 378
PHE A 382
ALA A 528
SER A 531
HEM  A 602 (-4.6A)
IBP  A 601 (-4.5A)
None
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
1.29A 3hs6B-4ph9A:
63.6
3hs6B-4ph9A:
99.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HS6_B_EPAB1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
6 / 12 PHE A 211
TYR A 356
ILE A 378
PHE A 382
GLY A 527
ALA A 528
HEM  A 602 (-4.6A)
IBP  A 601 (-4.5A)
None
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
1.37A 3hs6B-4ph9A:
63.6
3hs6B-4ph9A:
99.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KK6_A_CELA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
7 / 12 GLN A 193
VAL A 350
LEU A 353
TRP A 388
PHE A 519
GLY A 527
SER A 531
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 (-3.9A)
IBP  A 601 ( 3.3A)
0.93A 3kk6A-4ph9A:
57.1
3kk6A-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KK6_A_CELA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 GLN A 193
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TRP A 388
GLY A 527
ALA A 528
SER A 531
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.71A 3kk6A-4ph9A:
57.1
3kk6A-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KK6_B_CELB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
7 / 12 GLN A 193
VAL A 350
LEU A 353
TRP A 388
PHE A 519
GLY A 527
SER A 531
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 (-3.9A)
IBP  A 601 ( 3.3A)
0.90A 3kk6B-4ph9A:
56.8
3kk6B-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KK6_B_CELB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 HIS A  90
GLN A 193
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TRP A 388
GLY A 527
SER A 531
None
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-3.9A)
IBP  A 601 ( 3.3A)
0.64A 3kk6B-4ph9A:
56.8
3kk6B-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LN1_A_CELA682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 HIS A  90
GLN A 193
VAL A 350
TYR A 356
LEU A 360
TRP A 388
ALA A 517
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
None
None
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.53A 3ln1A-4ph9A:
63.8
3ln1A-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LN1_B_CELB682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 HIS A  90
GLN A 193
VAL A 350
TYR A 356
LEU A 360
TRP A 388
ALA A 517
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
None
None
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.53A 3ln1B-4ph9A:
63.9
3ln1B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LN1_C_CELC682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 HIS A  90
VAL A 350
TYR A 356
LEU A 360
TYR A 386
TRP A 388
ALA A 517
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
None
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.52A 3ln1C-4ph9A:
63.8
3ln1C-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LN1_D_CELD682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 HIS A  90
GLN A 193
VAL A 350
SER A 354
TYR A 356
LEU A 360
TRP A 388
ALA A 517
VAL A 524
GLY A 527
ALA A 528
LEU A 532
None
None
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.32A 3ln1D-4ph9A:
63.8
3ln1D-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8W_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 VAL A 117
ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.47A 3n8wA-4ph9A:
58.7
3n8wA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 HIS A  90
ARG A 121
LEU A 353
TYR A 356
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
None
BOG  A 604 ( 3.7A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.62A 3n8xA-4ph9A:
11.5
3n8xA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 HIS A  90
LEU A 353
TYR A 356
TYR A 386
TRP A 388
PHE A 519
GLY A 527
SER A 531
LEU A 532
None
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
None
IBP  A 601 (-3.9A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.72A 3n8xA-4ph9A:
11.5
3n8xA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8X_B_NIMB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 HIS A  90
ARG A 121
LEU A 353
TYR A 356
LEU A 360
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
None
BOG  A 604 ( 3.7A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.61A 3n8xB-4ph9A:
57.9
3n8xB-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8X_B_NIMB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
8 / 12 LEU A 353
TYR A 356
LEU A 360
TRP A 388
PHE A 519
GLY A 527
SER A 531
LEU A 532
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 (-3.9A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.73A 3n8xB-4ph9A:
57.9
3n8xB-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8X_B_NIMB1701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
3 / 3 VAL A 117
VAL A 350
SER A 354
BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
None
0.12A 3n8xB-4ph9A:
57.9
3n8xB-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 11 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.80A 3n8yA-4ph9A:
34.1
3n8yA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 11 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.61A 3n8yA-4ph9A:
34.1
3n8yA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8Y_B_DIFB585_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 VAL A 345
VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
GLY A 527
ALA A 528
LEU A 532
LEU A 535
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
EDO  A 616 ( 4.4A)
0.47A 3n8yB-4ph9A:
32.9
3n8yB-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8Y_B_SALB900_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
4 / 5 VAL A 350
LEU A 353
TYR A 356
ALA A 528
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-3.4A)
0.45A 3n8yB-4ph9A:
32.9
3n8yB-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8Z_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 VAL A 117
ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.55A 3n8zA-4ph9A:
58.5
3n8zA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8Z_B_FLPB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 385
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.57A 3n8zB-4ph9A:
58.6
3n8zB-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NT1_A_NPSA5_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.65A 3nt1A-4ph9A:
64.9
3nt1A-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NT1_A_NPSA5_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 ARG A 121
VAL A 350
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.46A 3nt1A-4ph9A:
64.9
3nt1A-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NT1_B_NPSB4_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 ARG A 121
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
BOG  A 604 ( 3.7A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.70A 3nt1B-4ph9A:
65.0
3nt1B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NT1_B_NPSB4_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 ARG A 121
VAL A 350
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.46A 3nt1B-4ph9A:
65.0
3nt1B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 VAL A 117
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.54A 3pghA-4ph9A:
63.3
3pghA-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 VAL A 117
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.37A 3pghA-4ph9A:
63.3
3pghA-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PGH_B_FLPB701_1
(CYCLOOXYGENASE-2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 11 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
MET A 523
VAL A 524
GLY A 527
ALA A 528
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
0.42A 3pghB-4ph9A:
25.4
3pghB-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PGH_C_FLPC701_1
(CYCLOOXYGENASE-2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 VAL A 117
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.52A 3pghC-4ph9A:
63.3
3pghC-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.56A 3pghD-4ph9A:
63.3
3pghD-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RR3_A_FLRA700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 VAL A 117
ARG A 121
VAL A 350
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.43A 3rr3A-4ph9A:
63.6
3rr3A-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RR3_B_FLRB700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 VAL A 117
ARG A 121
VAL A 350
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.44A 3rr3B-4ph9A:
63.6
3rr3B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RR3_C_FLRC700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 VAL A 117
ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.60A 3rr3C-4ph9A:
63.6
3rr3C-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RR3_D_FLRD700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 VAL A 117
ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.60A 3rr3D-4ph9A:
63.6
3rr3D-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
LEU A 385
VAL A 524
GLY A 527
ALA A 528
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.70A 4coxA-4ph9A:
62.8
4coxA-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.59A 4coxA-4ph9A:
62.8
4coxA-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
8 / 12 VAL A 350
SER A 354
TYR A 356
LEU A 526
GLY A 527
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
1.25A 4coxA-4ph9A:
62.8
4coxA-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_B_IMNB701_1
(CYCLOOXYGENASE-2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
LEU A 385
VAL A 524
GLY A 527
ALA A 528
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.69A 4coxB-4ph9A:
62.6
4coxB-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_B_IMNB701_1
(CYCLOOXYGENASE-2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.58A 4coxB-4ph9A:
62.6
4coxB-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_B_IMNB701_1
(CYCLOOXYGENASE-2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 VAL A 350
SER A 354
TYR A 356
LEU A 526
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
1.26A 4coxB-4ph9A:
62.6
4coxB-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_C_IMNC701_1
(CYCLOOXYGENASE-2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 ARG A 121
VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.56A 4coxC-4ph9A:
62.6
4coxC-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_D_IMND701_1
(CYCLOOXYGENASE-2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
LEU A 385
VAL A 524
GLY A 527
ALA A 528
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.70A 4coxD-4ph9A:
62.8
4coxD-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_D_IMND701_1
(CYCLOOXYGENASE-2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.59A 4coxD-4ph9A:
62.8
4coxD-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_D_IMND701_1
(CYCLOOXYGENASE-2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 VAL A 350
SER A 354
TYR A 356
LEU A 526
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
1.27A 4coxD-4ph9A:
62.8
4coxD-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4E1G_A_LNLA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 PHE A 206
PHE A 210
TYR A 356
ASN A 376
ILE A 378
PHE A 382
TYR A 386
GLY A 527
ALA A 528
SER A 531
GLY A 534
LEU A 535
None
EDO  A 616 (-3.5A)
IBP  A 601 (-4.5A)
EDO  A 616 (-4.4A)
None
None
IBP  A 601 (-4.8A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
EDO  A 616 (-3.0A)
EDO  A 616 ( 4.4A)
0.28A 4e1gA-4ph9A:
64.6
4e1gA-4ph9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4E1G_A_LNLA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
7 / 12 PHE A 211
TYR A 356
ILE A 378
PHE A 382
GLY A 527
ALA A 528
SER A 531
HEM  A 602 (-4.6A)
IBP  A 601 (-4.5A)
None
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
1.31A 4e1gA-4ph9A:
64.6
4e1gA-4ph9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4E1G_A_LNLA701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
5 / 5 ARG A 121
VAL A 350
LEU A 353
SER A 354
MET A 523
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
None
0.20A 4e1gA-4ph9A:
64.6
4e1gA-4ph9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4E1G_B_LNLB701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 ARG A 121
PHE A 206
PHE A 210
TYR A 356
ILE A 378
PHE A 382
TYR A 386
GLY A 527
ALA A 528
SER A 531
GLY A 534
LEU A 535
BOG  A 604 ( 3.7A)
None
EDO  A 616 (-3.5A)
IBP  A 601 (-4.5A)
None
None
IBP  A 601 (-4.8A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
EDO  A 616 (-3.0A)
EDO  A 616 ( 4.4A)
0.16A 4e1gB-4ph9A:
64.9
4e1gB-4ph9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4E1G_B_LNLB701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
8 / 12 ARG A 121
PHE A 211
TYR A 356
ILE A 378
PHE A 382
GLY A 527
ALA A 528
SER A 531
BOG  A 604 ( 3.7A)
HEM  A 602 (-4.6A)
IBP  A 601 (-4.5A)
None
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
1.37A 4e1gB-4ph9A:
64.9
4e1gB-4ph9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4E1G_B_LNLB701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
7 / 7 VAL A 345
TYR A 349
VAL A 350
LEU A 353
ASN A 376
MET A 523
VAL A 524
None
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
EDO  A 616 (-4.4A)
None
IBP  A 601 ( 4.0A)
0.24A 4e1gB-4ph9A:
64.9
4e1gB-4ph9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_A_MXMA606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
6 / 12 MET A 114
ARG A 121
VAL A 350
LEU A 360
ALA A 528
SER A 531
None
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.71A 4m11A-4ph9A:
63.5
4m11A-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_A_MXMA606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 MET A 114
LEU A 118
ARG A 121
ILE A 346
VAL A 350
LEU A 360
TRP A 388
MET A 523
ALA A 528
None
None
BOG  A 604 ( 3.7A)
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 (-3.4A)
0.53A 4m11A-4ph9A:
63.5
4m11A-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 MET A 114
VAL A 117
ARG A 121
ILE A 346
LEU A 353
LEU A 360
TRP A 388
ALA A 528
LEU A 535
None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
None
IBP  A 601 ( 4.7A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-3.4A)
EDO  A 616 ( 4.4A)
0.71A 4m11B-4ph9A:
63.5
4m11B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
7 / 12 MET A 114
VAL A 117
ARG A 121
ILE A 346
LEU A 353
LEU A 532
LEU A 535
None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
None
IBP  A 601 ( 4.7A)
IBP  A 601 ( 4.9A)
EDO  A 616 ( 4.4A)
1.24A 4m11B-4ph9A:
63.5
4m11B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 MET A 114
VAL A 117
ARG A 121
ILE A 346
VAL A 350
LEU A 360
TRP A 388
ALA A 528
LEU A 535
None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-3.4A)
EDO  A 616 ( 4.4A)
0.53A 4m11B-4ph9A:
63.5
4m11B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
8 / 12 MET A 114
VAL A 117
ARG A 121
LEU A 353
LEU A 360
TRP A 388
ALA A 528
SER A 531
None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 ( 4.7A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.87A 4m11B-4ph9A:
63.5
4m11B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
6 / 12 MET A 114
VAL A 117
ARG A 121
LEU A 353
SER A 531
LEU A 532
None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 ( 4.7A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
1.40A 4m11B-4ph9A:
63.5
4m11B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
8 / 12 MET A 114
VAL A 117
ARG A 121
VAL A 350
LEU A 360
TRP A 388
ALA A 528
SER A 531
None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.73A 4m11B-4ph9A:
63.5
4m11B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_C_MXMC606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
8 / 12 MET A 114
ILE A 346
VAL A 350
LEU A 360
TRP A 388
VAL A 524
ALA A 528
LEU A 535
None
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
EDO  A 616 ( 4.4A)
0.36A 4m11C-4ph9A:
63.5
4m11C-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_C_MXMC606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
7 / 12 MET A 114
VAL A 117
ILE A 346
VAL A 350
LEU A 360
TRP A 388
LEU A 535
None
BOG  A 604 (-3.9A)
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
EDO  A 616 ( 4.4A)
0.57A 4m11C-4ph9A:
63.5
4m11C-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_C_MXMC606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
5 / 12 MET A 114
VAL A 117
VAL A 350
LEU A 360
SER A 531
None
BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 ( 3.3A)
0.84A 4m11C-4ph9A:
63.5
4m11C-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_C_MXMC606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
6 / 12 MET A 114
VAL A 350
LEU A 360
VAL A 524
ALA A 528
SER A 531
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.69A 4m11C-4ph9A:
63.5
4m11C-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_D_MXMD606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
5 / 12 MET A 114
LEU A 353
TRP A 388
VAL A 524
ALA A 528
None
IBP  A 601 ( 4.7A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
0.74A 4m11D-4ph9A:
63.6
4m11D-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_D_MXMD606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 MET A 114
VAL A 117
ARG A 121
ILE A 346
VAL A 350
LEU A 360
TRP A 388
VAL A 524
ALA A 528
None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
0.54A 4m11D-4ph9A:
63.6
4m11D-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_D_MXMD606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
7 / 12 MET A 114
VAL A 117
ARG A 121
VAL A 350
LEU A 360
ALA A 528
SER A 531
None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.78A 4m11D-4ph9A:
63.6
4m11D-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1Z_A_MXMA807_2
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
5 / 6 VAL A 117
LEU A 118
ARG A 121
LEU A 360
MET A 523
BOG  A 604 (-3.9A)
None
BOG  A 604 ( 3.7A)
IBP  A 601 ( 4.7A)
None
0.64A 4o1zA-4ph9A:
58.8
4o1zA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1Z_A_MXMA807_2
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
5 / 6 VAL A 117
LEU A 118
LEU A 360
PHE A 519
MET A 523
BOG  A 604 (-3.9A)
None
IBP  A 601 ( 4.7A)
None
None
0.77A 4o1zA-4ph9A:
58.8
4o1zA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1Z_B_MXMB807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 MET A 114
VAL A 117
LEU A 118
ARG A 121
ILE A 346
VAL A 350
LEU A 360
TRP A 388
PHE A 519
ALA A 528
SER A 531
None
BOG  A 604 (-3.9A)
None
BOG  A 604 ( 3.7A)
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.77A 4o1zB-4ph9A:
58.8
4o1zB-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1Z_B_MXMB807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 MET A 114
VAL A 117
LEU A 118
ARG A 121
TRP A 388
PHE A 519
ALA A 528
SER A 531
LEU A 532
None
BOG  A 604 (-3.9A)
None
BOG  A 604 ( 3.7A)
None
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
1.07A 4o1zB-4ph9A:
58.8
4o1zB-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
6 / 12 LEU A 353
SER A 354
TYR A 356
LEU A 508
TRP A 388
VAL A 524
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
None
None
IBP  A 601 ( 4.0A)
1.49A 4otyA-4ph9A:
63.6
4otyA-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
6 / 12 SER A 354
TYR A 356
LEU A 526
ALA A 528
SER A 531
LEU A 532
None
IBP  A 601 (-4.5A)
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
1.11A 4otyA-4ph9A:
63.6
4otyA-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
6 / 12 SER A 354
TYR A 356
LEU A 526
GLY A 527
ALA A 528
LEU A 532
None
IBP  A 601 (-4.5A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
1.36A 4otyA-4ph9A:
63.6
4otyA-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
LEU A 385
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.59A 4otyA-4ph9A:
63.6
4otyA-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.63A 4otyA-4ph9A:
63.6
4otyA-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.37A 4otyA-4ph9A:
63.6
4otyA-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OTY_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
7 / 12 SER A 354
TYR A 356
LEU A 526
VAL A 524
ALA A 528
SER A 531
LEU A 532
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
1.27A 4otyB-4ph9A:
63.6
4otyB-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OTY_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
7 / 12 SER A 354
TYR A 356
LEU A 526
VAL A 524
GLY A 527
ALA A 528
LEU A 532
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
1.37A 4otyB-4ph9A:
63.6
4otyB-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OTY_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
LEU A 385
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.56A 4otyB-4ph9A:
63.6
4otyB-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OTY_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.58A 4otyB-4ph9A:
63.6
4otyB-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OTY_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.33A 4otyB-4ph9A:
63.6
4otyB-4ph9A:
99.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6X_G_HCYG900_1
(GLUCOCORTICOID
RECEPTOR)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
5 / 12 ASN A 196
GLY A 194
GLN A 193
LEU A 353
THR A 579
None
None
None
IBP  A 601 ( 4.7A)
None
1.48A 4p6xG-4ph9A:
undetectable
4p6xG-4ph9A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6X_I_HCYI900_1
(GLUCOCORTICOID
RECEPTOR)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
5 / 12 ASN A 196
GLY A 194
GLN A 193
LEU A 353
THR A 579
None
None
None
IBP  A 601 ( 4.7A)
None
1.45A 4p6xI-4ph9A:
undetectable
4p6xI-4ph9A:
19.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRW_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
MET A 523
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.56A 4rrwA-4ph9A:
63.7
4rrwA-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRW_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.73A 4rrwA-4ph9A:
63.7
4rrwA-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRW_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
MET A 523
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.55A 4rrwB-4ph9A:
63.8
4rrwB-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRW_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.74A 4rrwB-4ph9A:
63.8
4rrwB-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRW_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
LEU A 385
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.77A 4rrwC-4ph9A:
63.7
4rrwC-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRW_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.72A 4rrwC-4ph9A:
63.7
4rrwC-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRW_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 VAL A 350
SER A 354
TYR A 356
LEU A 526
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
1.32A 4rrwC-4ph9A:
63.7
4rrwC-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRW_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
8 / 12 LEU A 353
SER A 354
TYR A 356
LEU A 385
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.65A 4rrwD-4ph9A:
63.8
4rrwD-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRW_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.59A 4rrwD-4ph9A:
63.8
4rrwD-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRW_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.36A 4rrwD-4ph9A:
63.8
4rrwD-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRW_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
8 / 12 VAL A 350
SER A 354
TYR A 356
LEU A 526
VAL A 524
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
1.22A 4rrwD-4ph9A:
63.8
4rrwD-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRW_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
8 / 12 VAL A 350
SER A 354
TYR A 356
LEU A 526
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
1.30A 4rrwD-4ph9A:
63.8
4rrwD-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRX_A_LURA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 TYR A 349
VAL A 350
LEU A 353
TYR A 356
LEU A 385
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.58A 4rrxA-4ph9A:
63.2
4rrxA-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRX_A_LURA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 TYR A 349
VAL A 350
LEU A 353
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.72A 4rrxA-4ph9A:
63.2
4rrxA-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRX_B_LURB706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 TYR A 349
VAL A 350
LEU A 353
TYR A 356
LEU A 385
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.62A 4rrxB-4ph9A:
37.1
4rrxB-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRX_B_LURB706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 TYR A 349
VAL A 350
LEU A 353
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.73A 4rrxB-4ph9A:
37.1
4rrxB-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRZ_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
MET A 523
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.56A 4rrzA-4ph9A:
63.7
4rrzA-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRZ_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.73A 4rrzA-4ph9A:
63.7
4rrzA-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRZ_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
MET A 523
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.55A 4rrzB-4ph9A:
63.8
4rrzB-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRZ_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.74A 4rrzB-4ph9A:
63.8
4rrzB-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRZ_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
LEU A 385
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.77A 4rrzC-4ph9A:
63.7
4rrzC-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRZ_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.72A 4rrzC-4ph9A:
63.7
4rrzC-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRZ_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 12 VAL A 350
SER A 354
TYR A 356
LEU A 526
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
1.32A 4rrzC-4ph9A:
63.7
4rrzC-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRZ_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
8 / 12 LEU A 353
SER A 354
TYR A 356
LEU A 385
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.65A 4rrzD-4ph9A:
63.8
4rrzD-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRZ_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.59A 4rrzD-4ph9A:
63.8
4rrzD-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRZ_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.36A 4rrzD-4ph9A:
63.8
4rrzD-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRZ_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
8 / 12 VAL A 350
SER A 354
TYR A 356
LEU A 526
VAL A 524
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
1.22A 4rrzD-4ph9A:
63.8
4rrzD-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RRZ_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
8 / 12 VAL A 350
SER A 354
TYR A 356
LEU A 526
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
1.30A 4rrzD-4ph9A:
63.8
4rrzD-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RS0_A_IBPA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
9 / 9 ARG A 121
VAL A 350
LEU A 353
SER A 354
TYR A 356
LEU A 360
GLY A 527
ALA A 528
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.22A 4rs0A-4ph9A:
63.0
4rs0A-4ph9A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
5 / 8 LEU A 353
LEU A 385
TYR A 386
TRP A 388
GLY A 527
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
0.69A 5f1aA-4ph9A:
63.4
5f1aA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
6 / 8 VAL A 350
LEU A 385
TYR A 386
TRP A 388
GLY A 527
ALA A 528
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
0.20A 5f1aA-4ph9A:
63.4
5f1aA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
4 / 8 VAL A 350
TYR A 386
ALA A 528
SER A 531
IBP  A 601 (-4.3A)
IBP  A 601 (-4.8A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.74A 5f1aA-4ph9A:
63.4
5f1aA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F1A_B_SALB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
6 / 7 VAL A 350
LEU A 385
TYR A 386
TRP A 388
GLY A 527
ALA A 528
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
0.17A 5f1aB-4ph9A:
63.4
5f1aB-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F1A_B_SALB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
5 / 7 VAL A 350
TYR A 386
TRP A 388
ALA A 528
SER A 531
IBP  A 601 (-4.3A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
0.64A 5f1aB-4ph9A:
63.4
5f1aB-4ph9A:
88.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo
sapiens)
5 / 12 LEU A 267
GLY A 470
GLU A 339
VAL A 337
PHE A 291
IBP  A1570 (-3.7A)
None
None
IBP  A1570 (-4.6A)
None
1.27A 5f9zA-2wd9A:
undetectable
5f9zA-2wd9A:
23.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 385
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.36A 5ikqA-4ph9A:
62.7
5ikqA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.61A 5ikqA-4ph9A:
62.7
5ikqA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 385
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.32A 5ikqB-4ph9A:
62.9
5ikqB-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.61A 5ikqB-4ph9A:
62.9
5ikqB-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.61A 5ikrA-4ph9A:
63.0
5ikrA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.33A 5ikrA-4ph9A:
63.0
5ikrA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.72A 5ikrA-4ph9A:
63.0
5ikrA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.50A 5ikrA-4ph9A:
63.0
5ikrA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKR_B_ID8B602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.66A 5ikrB-4ph9A:
62.8
5ikrB-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKR_B_ID8B602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.44A 5ikrB-4ph9A:
62.8
5ikrB-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 VAL A 117
ARG A 121
VAL A 350
SER A 354
TYR A 356
LEU A 385
TRP A 388
MET A 523
VAL A 524
GLY A 527
ALA A 528
LEU A 532
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.49A 5iktA-4ph9A:
63.1
5iktA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
10 / 12 VAL A 117
ARG A 121
VAL A 350
LEU A 385
TRP A 388
MET A 523
VAL A 524
GLY A 527
ALA A 528
LEU A 532
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.39A 5iktB-4ph9A:
63.1
5iktB-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 VAL A 117
VAL A 350
LEU A 353
SER A 354
LEU A 385
TRP A 388
MET A 523
VAL A 524
GLY A 527
ALA A 528
LEU A 532
BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
None
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.33A 5iktB-4ph9A:
63.1
5iktB-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
3 / 3 TYR A 356
TYR A 386
SER A 531
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
IBP  A 601 ( 3.3A)
0.83A 5iktB-4ph9A:
63.1
5iktB-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JVZ_A_FLPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.47A 5jvzA-4ph9A:
64.0
5jvzA-4ph9A:
99.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 ARG A 121
LEU A 353
SER A 354
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.55A 5jvzB-4ph9A:
64.0
5jvzB-4ph9A:
99.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.23A 5jvzB-4ph9A:
64.0
5jvzB-4ph9A:
99.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JW1_A_CELA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 HIS A  90
GLN A 193
VAL A 350
TYR A 356
LEU A 360
TRP A 388
ALA A 517
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
None
None
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.42A 5jw1A-4ph9A:
62.6
5jw1A-4ph9A:
99.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JW1_A_CELA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
6 / 6 VAL A 117
LEU A 353
SER A 354
ARG A 514
ILE A 518
PHE A 519
BOG  A 604 (-3.9A)
IBP  A 601 ( 4.7A)
None
None
None
None
0.47A 5jw1A-4ph9A:
62.6
5jw1A-4ph9A:
99.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JW1_B_CELB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 HIS A  90
ARG A 121
GLN A 193
LEU A 353
TYR A 356
LEU A 360
TRP A 388
ALA A 517
VAL A 524
GLY A 527
ALA A 528
None
BOG  A 604 ( 3.7A)
None
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
0.76A 5jw1B-4ph9A:
62.7
5jw1B-4ph9A:
99.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JW1_B_CELB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
11 / 12 HIS A  90
GLN A 193
LEU A 353
TYR A 356
LEU A 360
TRP A 388
ALA A 517
VAL A 524
GLY A 527
ALA A 528
LEU A 532
None
None
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
0.35A 5jw1B-4ph9A:
62.7
5jw1B-4ph9A:
99.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JW1_B_CELB602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
6 / 6 VAL A 117
VAL A 350
SER A 354
ARG A 514
ILE A 518
PHE A 519
BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
None
None
None
None
0.30A 5jw1B-4ph9A:
62.7
5jw1B-4ph9A:
99.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KIR_A_RCXA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 HIS A  90
GLN A 193
VAL A 350
LEU A 353
TYR A 356
TRP A 388
ALA A 517
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
None
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.25A 5kirA-4ph9A:
62.4
5kirA-4ph9A:
87.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KIR_B_RCXB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
6 / 12 ALA A 436
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
1.43A 5kirB-4ph9A:
63.0
5kirB-4ph9A:
87.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KIR_B_RCXB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
12 / 12 HIS A  90
GLN A 193
VAL A 350
SER A 354
TYR A 356
TRP A 388
ALA A 517
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
None
None
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
0.32A 5kirB-4ph9A:
63.0
5kirB-4ph9A:
87.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KIR_B_RCXB601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus
musculus)
4 / 4 LEU A 353
ARG A 514
ILE A 518
PHE A 519
IBP  A 601 ( 4.7A)
None
None
None
0.34A 5kirB-4ph9A:
63.0
5kirB-4ph9A:
87.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NWV_A_ACAA18_1
(SCRFP-TAG,GP41)
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo
sapiens)
5 / 12 LEU A 251
GLY A 247
GLU A 275
LEU A 270
LEU A 368
None
None
None
None
IBP  A1570 ( 4.4A)
1.17A 5nwvA-2wd9A:
undetectable
5nwvA-2wd9A:
6.77