Ligand ID: 9KL


Drugbank ID:
DB09214
(Dexketoprofen)


Indication:
For short-term treatment of mild to moderate pain, including dysmenorrhoea.

Get human targets for 9KL in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '9KL' AND SARS-RELATED PROTEINS ONLY

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
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.
5ZWR_B_9KLB402_0
(EST-Y29)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
SER D 321
ILE D 288
TYR D 295
LEU D 282
ALA D 311
1.28A20.15
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
TYR H 154
SER H 156
ILE H 112
LEU D  65
ALA H 155
1.61A17.94
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
TYR D 334
PHE D 315
ILE C 338
GLY C 317
ALA C 314
1.49A17.62
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
SER A 319
TYR B 334
PHE B 315
ILE A 338
ALA A 314
1.68A17.62
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		2dd8 IGG LIGHT CHAIN
(Homo
sapiens)		5 / 12
PHE L  62
ILE L  58
TYR L  86
ARG L  61
GLY L  81
1.25A20.57
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE S 325
ILE S 345
LEU S 499
GLY S 512
LEU S 374
1.50A20.31
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
PHE A 117
LEU A 127
GLY A  79
ALA A 113
LEU A 110
1.62A20.15
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
SER C 140
ILE C 107
TYR C 114
LEU C 101
ALA C 130
1.26A20.15
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
TYR B 334
PHE B 315
ILE A 338
GLY A 317
ALA A 314
1.58A14.55
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		2jzd REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
TYR A 644
ILE A 608
LEU A 627
ALA A 621
LEU A 648
1.64A17.53
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		2jzd REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
TYR A 644
ILE A 608
LEU A 627
ALA A 621
LEU A 648
1.67A17.53
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
ILE D 306
TYR D 237
LEU D 331
GLY D 253
LEU D 248
1.49A23.20
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		2wct NSP3
(SARSr-CoV)		5 / 12
TYR B 644
ILE B 608
LEU B 627
ALA B 621
LEU B 648
1.56A20.63
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		2wct NSP3
(SARSr-CoV)		5 / 12
TYR D 644
ILE D 608
LEU D 627
ALA D 621
LEU D 648
1.60A20.63
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
SER A 145
ILE A 171
LEU A 206
HIS A 225
ALA A 178
1.53A19.57
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
SER A 145
ILE A 171
LEU A 206
HIS A 225
ALA A 178
1.55A20.71
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
SER B  77
PHE B  32
LEU B 391
ALA B  80
LEU B  97
1.55A21.82
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ILE B 446
TYR B 515
LEU B 410
GLY B 399
ALA B 403
1.57A21.82
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		3i6k HLA, A-2
MEMBRANE
GLYCOPROTEIN PEPTIDE
(Homo
sapiens;
SARS-COV
TJF)		5 / 12
TYR E  99
PHE G   4
LEU G   6
HIS E 114
LEU G   1
1.44A19.15
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		3i6k HLA, A-2
MEMBRANE
GLYCOPROTEIN PEPTIDE
(Homo
sapiens;
SARS-COV
TJF)		6 / 12
TYR E  99
PHE G   4
LEU G   6
HIS E 114
GLY E 100
LEU G   1
1.80A19.15
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
SER A 145
ILE A 171
LEU A 206
HIS A 225
ALA A 178
1.55A22.25
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		3scj ACE2
(Homo
sapiens)		5 / 12
ILE B 436
TYR B 587
LEU B 595
ALA B 443
LEU B 240
1.59A21.67
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		3scj ACE2
(Homo
sapiens)		5 / 12
ILE B 436
TYR B 587
LEU B 595
ALA B 443
LEU B 240
1.59A21.67
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
SER A  77
PHE A  32
LEU A 391
ALA A  80
LEU A  97
1.60A21.67
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ILE B 446
TYR B 515
LEU B 410
GLY B 399
ALA B 403
1.61A21.67
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
ILE A 277
LEU A 283
HIS A 276
GLY A 288
LEU A 291
1.64A19.61
None
None
None
NHE  A 403 (-3.3A)
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
TYR B 511
PHE B 326
ILE B 397
ALA B 323
LEU B 322
1.63A20.48
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
TYR B 511
PHE B 326
ILE B 397
ALA B 323
LEU B 322
1.62A20.48
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
TYR B 511
PHE B 326
ILE B 397
ALA B 323
LEU B 322
1.60A20.63
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
TYR B 511
PHE B 326
ILE B 397
ALA B 323
LEU B 322
1.59A20.63
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
TYR D 511
PHE D 326
ILE D 397
ALA D 323
LEU D 322
1.59A21.33
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
TYR D 511
PHE D 326
ILE D 397
ALA D 323
LEU D 322
1.58A21.33
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
TYR C 598
LEU A 846
GLY C 634
ALA C 633
LEU A 843
1.37A15.75
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE B 325
ILE B 345
LEU B 499
GLY B 512
LEU B 374
1.27A16.16
PHE  B 325 ( 1.3A)
ILE  B 345 ( 0.7A)
LEU  B 499 ( 0.6A)
GLY  B 512 ( 0.0A)
LEU  B 374 ( 0.6A)
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.
5ZWR_B_9KLB402_0
(EST-Y29)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER C 500
TYR C 410
PHE C 387
ILE C 397
LEU C 421
1.37A16.16
SER  C 500 ( 0.0A)
TYR  C 410 ( 1.3A)
PHE  C 387 ( 1.3A)
ILE  C 397 ( 0.7A)
LEU  C 421 ( 0.5A)
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER C 500
TYR C 410
PHE C 387
ILE C 397
LEU C 421
1.27A16.16
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE C 325
ILE C 345
LEU C 499
GLY C 512
LEU C 374
1.40A16.16
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE C 800
LEU C 920
GLY C1041
ALA C1038
LEU C 927
1.39A16.24
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE C 800
LEU C 920
GLY C1041
ALA C1038
LEU C 927
1.45A16.55
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
SER B 500
TYR B 410
PHE B 387
ILE B 397
LEU B 421
1.57A16.55
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6cs2 ACE2
(Homo
sapiens)		5 / 12
TYR D 510
TYR D 515
PHE D 512
ARG D 460
LEU D 503
1.64A21.84
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6m17 ACE2
(Homo
sapiens)		5 / 12
TYR B 633
ILE B 622
LEU B 717
ALA B 632
LEU B 628
1.28A18.77
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6m17 ACE2
(Homo
sapiens)		5 / 12
TYR B 633
ILE B 622
LEU B 717
ALA B 632
LEU B 628
1.30A18.77
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
TYR C 509
SER C 504
ILE C  92
LEU C  96
LEU C  11
1.73A21.04
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE A 325
ILE A 345
LEU A 499
GLY A 512
LEU A 374
1.36A16.18
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6vw1 ACE2
(Homo
sapiens)		5 / 12
TYR A 158
ILE A 256
LEU A 248
ALA A 264
LEU A 267
1.71A21.82
None
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6vw1 ACE2
(Homo
sapiens)		5 / 12
ILE B 446
TYR B 515
LEU B 410
GLY B 399
ALA B 403
1.62A21.82
None