Ligand ID: K5Y


Drugbank ID:
DB00938
(Salmeterol)


Indication:
For the treatment of asthma and chronic obstructive pulmonary disease (COPD).

Get human targets for K5Y in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'K5Y' 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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		1x7q HLA, A-11
(Homo
sapiens)		3 / 3
ASP A  39
SER A  71
SER A  11
1.07A20.43
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASP A 289
SER B1284
SER A 284
1.79A19.32
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL I  33
VAL J  10
ASP G  32
ASN K  37
ILE L  12
1.60A8.33
None
None
NA  G 208 (-3.0A)
None
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		3 / 3
ASP H  69
SER C  59
SER C  62
1.30A18.84
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
VAL A  13
ASP A 176
PHE A 159
ILE A 106
ASN A 151
1.63A19.29
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B  13
ASP B 176
PHE B 159
ILE B 106
ASN B 151
1.59A20.34
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		2kqw NSP3
(SARSr-CoV)		5 / 12
VAL A 138
VAL A 141
ASP A 191
PHE A 181
TYR A 147
1.65A15.92
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
VAL B  13
ASP B 176
PHE B 159
ILE B 106
ASN B 151
1.63A19.79
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		3 / 3
ASP A 153
SER B 121
SER B 123
1.19A19.71
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
VAL A  96
ASP A 114
PHE A 156
HIS A 119
TYR A 152
1.64A20.29
None
SAH  A1293 (-3.7A)
None
None
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A  13
ASP A 176
PHE A 159
ILE A 106
ASN A 151
1.63A19.26
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B  13
ASP B 176
PHE B 159
ILE B 106
ASN B 151
1.63A20.00
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A  13
ASP A 176
PHE A 159
ILE A 106
ASN A 151
1.65A20.00
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A  13
ASP A 176
PHE A 159
ILE A 106
ASN A 151
1.62A20.13
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A  13
ASP A 176
PHE A 159
ILE A 106
ASN A 151
1.64A19.92
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A  13
ASP A 176
PHE A 159
ILE A 106
ASN A 151
1.62A19.14
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		3i6l HLA, A-24
(Homo
sapiens)		3 / 3
ASP D  39
SER D  71
SER D  11
1.19A21.62
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A  13
ASP A 176
PHE A 159
ILE A 106
ASN A 151
1.63A19.92
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
ASP B  67
SER B 113
SER B 105
1.61A20.82
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A  13
ASP A 176
PHE A 159
ILE A 106
ASN A 151
1.58A19.14
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		3snc 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A  13
ASP A 176
PHE A 159
ILE A 106
ASN A 151
1.58A19.79
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		3 / 3
ASP A  39
SER A  71
SER A  11
0.84A21.49
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A  13
ASP A 176
PHE A 159
ILE A 106
ASN A 151
1.65A19.29
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
ASP A 165
SER A 116
SER A 112
1.38A21.20
None
NA  A 402 (-2.8A)
NA  A 402 (-4.3A)
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		3 / 3
ASP A 198
SER A 318
SER A 319
1.11A21.09
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B  13
ASP B 176
PHE B 159
ILE B 106
ASN B 151
1.66A19.15
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
ASP B 234
SER B 171
SER B 230
1.69A23.85
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
VAL D 381
ASP D 375
PHE D 384
TYR D 368
TYR D 351
1.55A23.85
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
VAL D 346
ASP D 352
PHE D 350
TYR D 351
ILE D 332
1.35A24.16
None
SAM  D 605 (-2.3A)
None
None
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
ASP B 234
SER B 230
SER B 171
1.41A24.16
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
VAL B 346
ASP B 352
PHE B 350
TYR B 351
ILE B 332
1.48A23.56
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		3 / 3
ASP C 211
SER A 221
SER A 220
1.01A23.56
None
PEG  C 604 ( 4.4A)
PEG  C 604 ( 4.4A)
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		5x4r S PROTEIN
(MERS-CoV)		3 / 3
ASP A  34
SER A  88
SER A 299
1.39A20.96
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ASP A 208
SER A  36
SER A  35
1.76A22.02
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
VAL B 534
VAL B 530
ASN B 501
ILE B 464
ASN B 468
1.30A17.16
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		5x5c S PROTEIN
(MERS-CoV)		3 / 3
ASP C  34
SER C  88
SER C 299
1.38A17.16
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ASP A 454
SER C 105
SER C 111
1.54A17.50
ASP  A 454 ( 0.6A)
SER  C 105 ( 0.0A)
SER  C 111 ( 0.0A)
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		6acg ACE2
(Homo
sapiens)		3 / 3
ASP D  67
SER D 106
SER D 113
1.09A21.14
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ASP C 154
SER C 113
SER C 111
0.81A17.50
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASP C1109
PHE C1071
ASN A 896
ILE C1114
TYR C1070
1.48A17.22
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ASP A 277
SER A  35
SER A  64
1.32A17.22
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		6jyt HELICASE
(SARSr-CoV)		3 / 3
ASP B 101
SER B  36
SER A 148
1.37A21.71
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
VAL A 585
VAL A 586
ASP A 189
ASN A 580
ILE A 576
1.52A21.20
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		6m1d ACE2
(Homo
sapiens)		3 / 3
ASP D 693
SER D 167
SER D 170
1.10A19.74
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP C1109
PHE C1071
ASN B 896
ILE C1114
TYR C1070
1.57A16.64
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		6nur NSP12
(SARSr-CoV)		5 / 12
VAL A 764
VAL A 763
PHE A 782
ASN A 695
TYR A 619
1.35A19.89
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		6nur NSP12
(SARSr-CoV)		3 / 3
ASP A 879
SER A 434
SER A 433
1.36A19.89
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		6vw1 ACE2
(Homo
sapiens)		3 / 3
ASP B 509
SER B 113
SER B 105
1.65A21.61
None