Ligand ID: AGG


Drugbank ID:
DB00775
(Tirofiban)


Indication:
For treatment, in combination with heparin, of acute coronary syndrome, including patients who are to be managed medically and those undergoing PTCA or atherectomy.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'AGG' 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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
PHE B 291
LEU B 205
SER B   1
ASN B 214
ALA B 211
1.63A23.30
21.06
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
LEU G 103
ASP C  10
SER H  12
SER H  13
GLU H  10
1.55A17.61
17.39
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 12
PHE B 230
LEU B 205
TYR B 102
SER B 101
ASN B 164
1.50A21.03
19.70
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
LEU B 340
SER A 311
SER A 313
TYR B 334
ALA B 309
1.55A12.70
11.71
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
LEU A 340
SER B 311
SER B 313
TYR A 334
ALA A 309
1.62A14.79
14.04
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A 359
SER A 124
TYR A 127
SER A 128
TYR A 510
1.60A20.33
21.73
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU D 232
ASP D 229
TYR B 237
ASN C 274
GLU A 270
1.39A12.58
13.52
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		3scl ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
SER A  40
TYR A  41
SER A  44
TYR E 436
ALA A  65
1.68A20.10
22.17
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B 250
ARG B 222
ASN B 221
ALA B 267
GLU B 270
1.68A23.39
20.68
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
LEU B 329
SER D 448
SER D 450
TYR B 361
GLU D 490
1.57A22.87
20.50
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
LEU B 329
SER D 448
SER D 450
TYR B 361
GLU D 490
1.60A22.87
20.82
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
PHE C 551
LEU C 538
TYR A 266
SER A  49
ARG A  48
1.70A16.73
16.39
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
LEU B1040
SER A 690
SER A 365
ARG A 694
GLU A 367
1.48A16.85
16.40
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR A 408
LEU A 448
ASP A 454
SER C 353
ASN C 357
1.61A16.96
17.18
TYR  A 408 ( 1.3A)
LEU  A 448 ( 0.6A)
ASP  A 454 ( 0.6A)
SER  C 353 ( 0.0A)
ASN  C 357 ( 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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
PHE A 551
LEU A 538
TYR B 266
SER B  49
ARG B  48
1.67A16.52
17.30
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
PHE A 551
LEU A 538
TYR B 266
SER B  49
ARG B  48
1.40A17.03
17.30
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 12
PHE A  22
TYR A  74
LEU A  78
TYR A   7
ASN A 114
1.63A22.80
18.71
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		6jyt HELICASE
(SARSr-CoV)		5 / 12
LEU A 405
ASP A 534
TYR A 382
ASN A 381
ALA A 379
1.50A22.73
21.17
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
PHE A 546
LEU A 541
SER A 118
ALA A 498
GLU A 501
1.67A22.79
23.31
None