Ligand ID: GEO


Drugbank ID:
DB00441
(Gemcitabine)


Indication:
Gemcitabine is indicated for the treatment of advanced ovarian cancer that has relapsed at least 6 months after completion of platinum-based therapy; metastatic ovarian cancer; inoperable, locally advanced (Stage IIIA or IIIB), or metastatic (Stage IV) non-small cell lung cancer; and locally advanced (nonresectable Stage II or Stage III) or metastatic (Stage IV) adenocarcinoma of the pancreas.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'GEO' 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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
GLY A  47
GLN A  48
VAL A 111
TYR A  65
ASN A  53
1.35A14.18
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 116
VAL A 114
TYR A 161
PHE A 140
SER B   1
1.43A21.20
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		2gri NSP3
(SARSr-CoV)		5 / 12
ALA A  59
VAL A  58
TYR A  43
LEU A  90
ASN A  37
1.47A13.92
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		2gt7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA B 116
VAL B 114
TYR B 161
PHE B 140
SER A   1
1.36A21.13
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		2og3 NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		6 / 12
GLN A  84
ALA A 135
VAL A 134
TYR A  88
ASN A  76
SER A  79
1.73A12.50
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
ALA B 116
VAL B 114
TYR B 161
PHE B 140
SER A   1
1.34A21.40
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
ALA A   6
VAL A   5
PHE A  55
ASN A  45
ILE A  26
1.44A22.42
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 174
ALA B 173
ASN B 142
GLU B 166
SER B 144
1.40A21.30
None
None
None
XP1  B1304 (-1.6A)
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.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A  40
MET A 247
PHE A 250
GLN A  87
ALA A  83
1.58A23.43
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
GLY A  81
ALA A  79
LEU A  95
SER A 129
ILE A 128
1.42A21.76
SAH  A1293 (-3.6A)
None
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
GLY A  81
ALA A  79
LEU A  95
SER A 129
ILE A 128
1.41A21.03
SFG  A1298 (-3.5A)
None
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.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A  40
MET A 247
PHE A 250
GLN A  87
ALA A  83
1.59A21.97
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA B 116
VAL B 114
TYR B 161
PHE B 140
SER A   1
1.44A20.89
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
GLY A  81
ALA A  79
LEU A  95
SER A 129
ILE A 128
1.42A21.86
SAM  A 302 (-3.4A)
None
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.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A  40
MET A 247
PHE A 250
GLN A  87
ALA A  83
1.58A20.72
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA B 116
VAL B 114
TYR B 161
PHE B 140
SER A   1
1.36A21.71
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.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
ILE A  38
GLU A   6
VAL A   7
ARG A  78
ALA B  23
1.65A16.81
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.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
GLU B 302
VAL B 305
PHE B 401
ALA B 425
PHE B 426
1.72A18.97
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
ALA B 281
VAL B 244
LEU B 253
SER B 112
ILE B 275
1.46A21.72
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
ALA A 281
VAL A 244
LEU A 253
SER A 112
ILE A 275
1.37A21.52
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.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
ILE O  38
GLU O   6
VAL O   7
ARG O  78
ALA D  23
1.79A17.62
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		5tl6 UBIQUITIN-LIKE
PROTEIN ISG15
(Homo
sapiens)		5 / 12
GLY A 138
LEU A 131
GLU A 127
SER A 146
ILE A  84
1.41A13.42
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
GLY A 359
VAL A 356
LEU A 344
ASN B 832
SER A 362
1.39A15.93
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.
2NO0_A_GEOA302_1
(DEOXYCYTIDINE KINASE)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
ILE A  69
LEU A 324
PHE A 354
PHE A 327
GLU A 352
1.70A11.92
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA B 864
VAL B 860
LEU B 788
PHE B1034
ILE B 913
1.20A16.64
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.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU B 162
VAL B 124
ARG B 126
ALA B 127
PHE B 130
1.55A11.86
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ALA B  91
VAL B  98
LEU B 235
PHE B  89
ILE B  81
1.32A16.53
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ALA C  91
VAL C  98
LEU C 235
PHE C  89
ILE C  81
1.32A16.81
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.
2NO0_A_GEOA302_1
(DEOXYCYTIDINE KINASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE A 115
GLU A 162
LEU A 224
GLN A 112
PHE A 130
1.70A11.89
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.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE A 852
GLU A 801
VAL A1043
MET A1011
ALA A 857
1.73A11.91
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.
2NO0_A_GEOA302_1
(DEOXYCYTIDINE KINASE)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 12
ILE A  66
GLU A 163
MET A   5
TYR A   7
ARG A  62
1.78A20.71
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.
1P62_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 11
ILE A  66
GLU A 163
MET A   5
TYR A   7
ARG A  62
1.76A20.82
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.
2NO0_A_GEOA302_1
(DEOXYCYTIDINE KINASE)		6jyt HELICASE
(SARSr-CoV)		5 / 12
VAL A 154
LEU A 163
TYR A 211
PHE A 225
ARG A 186
1.63A19.37
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
GLN A 274
LEU A  75
PHE A  58
ASN A  54
SER A 278
1.49A22.66
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.
1P62_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
ILE A 518
VAL A 505
TYR A  87
GLN A 531
ASP A 512
1.76A15.92
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA A 864
VAL A 860
LEU A 788
PHE A1034
ILE A 913
1.46A16.95
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		6nus NSP12
(SARSr-CoV)		5 / 12
GLY A 503
ALA A 502
TYR A 516
LEU A 372
ASN A 568
1.24A19.63
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLN C  48
ALA C  90
LEU C  53
GLU C  87
ASN H  77
1.62A
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLN L  48
ALA L  90
LEU L  53
GLU L  87
ASN B  77
1.62A
None