POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second 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 through AutoDock Vina.


DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Seq.
Identity (%)
View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
2ax9 ANDROGEN RECEPTOR
(Homo
sapiens)
5 / 12ARG A 752
MET A 780
GLN A 783
CYH A 784
MET A 787
BHM  A   1 (-3.8A)
BHM  A   1 ( 4.3A)
None
None
BHM  A   1 (-3.6A)
1.14A46.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
2ax9 ANDROGEN RECEPTOR
(Homo
sapiens)
5 / 12ASN A 705
GLY A 708
GLN A 711
CYH A 784
PHE A 891
BHM  A   1 (-3.6A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
None
None
0.92A46.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
2ax9 ANDROGEN RECEPTOR
(Homo
sapiens)
6 / 12ASN A 705
GLY A 708
GLN A 711
MET A 742
ARG A 752
CYH A 784
BHM  A   1 (-3.6A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
None
0.77A46.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
2ax9 ANDROGEN RECEPTOR
(Homo
sapiens)
6 / 12GLY A 708
GLN A 711
ARG A 752
GLN A 783
CYH A 784
MET A 787
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 (-3.8A)
None
None
BHM  A   1 (-3.6A)
1.23A46.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
2ax9 ANDROGEN RECEPTOR
(Homo
sapiens)
6 / 12GLY A 708
GLN A 711
MET A 742
ARG A 752
CYH A 784
MET A 787
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
None
BHM  A   1 (-3.6A)
0.83A46.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
3kba PROGESTERONE
RECEPTOR
(Homo
sapiens)
8 / 12ASN A 719
GLY A 722
MET A 756
ARG A 766
CYH A 798
MET A 801
THR A 894
PHE A 905
WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
0.72A49.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
3kba PROGESTERONE
RECEPTOR
(Homo
sapiens)
6 / 12GLY A 722
GLN A 725
MET A 756
ARG A 766
CYH A 798
MET A 801
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.2A)
0.87A49.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
4p6w GLUCOCORTICOID
RECEPTOR
(Homo
sapiens)
6 / 12ASN A 564
GLY A 568
GLN A 570
MET A 601
THR A 739
PHE A 749
MOF  A 801 (-3.0A)
None
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
1.20A96.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
4p6w GLUCOCORTICOID
RECEPTOR
(Homo
sapiens)
7 / 12GLN A 570
MET A 601
ARG A 611
GLN A 642
CYH A 643
MET A 646
THR A 739
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 (-4.2A)
None
MOF  A 801 ( 3.7A)
MOF  A 801 (-4.4A)
MOF  A 801 (-3.9A)
1.11A96.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
4p6w GLUCOCORTICOID
RECEPTOR
(Homo
sapiens)
11 / 12MET A 560
ASN A 564
GLY A 567
GLN A 570
MET A 601
ARG A 611
MET A 639
CYH A 643
MET A 646
THR A 739
PHE A 749
MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 (-4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 ( 3.7A)
MOF  A 801 (-4.4A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
0.61A96.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
4udb MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
7 / 12ASN A 770
GLN A 776
MET A 807
ARG A 817
CYH A 849
MET A 852
THR A 945
CV7  A1987 (-3.1A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 4.2A)
CV7  A1987 ( 3.7A)
CV7  A1987 (-3.1A)
0.55A51.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
4udb MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
7 / 12ASN A 770
GLN A 776
MET A 807
ARG A 817
MET A 852
THR A 945
PHE A 956
CV7  A1987 (-3.1A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
0.57A51.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
4udb MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
5 / 12ASN A 770
GLY A 774
GLN A 776
THR A 945
PHE A 956
CV7  A1987 (-3.1A)
None
CV7  A1987 (-3.0A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
1.32A51.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
4udb MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
5 / 12GLN A 776
ARG A 817
MET A 840
CYH A 849
MET A 852
CV7  A1987 (-3.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
CV7  A1987 ( 4.2A)
CV7  A1987 ( 3.7A)
0.91A51.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
5mwp MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
7 / 12ASN A 770
GLN A 776
MET A 807
ARG A 817
CYH A 849
THR A 945
PHE A 956
ECV  A1101 (-3.1A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.8A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
0.59A42.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
5mwp MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
5 / 12ASN A 770
GLY A 774
GLN A 776
THR A 945
PHE A 956
ECV  A1101 (-3.1A)
None
ECV  A1101 (-2.9A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
1.26A42.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)
5mwp MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
5 / 12GLN A 776
MET A 807
ARG A 817
CYH A 849
MET A 852
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.8A)
ECV  A1101 (-3.7A)
1.22A42.70
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
1ewi REPLICATION PROTEIN
A
(Homo
sapiens)
4 / 4LEU A  50
MET A  14
ILE A  28
LEU A  53
None
1.31A18.35
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens)
4 / 4LEU A 209
MET A 136
ILE A 103
LEU A 181
None
1.41A20.54
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
2vfk AKAP18 DELTA
(Homo
sapiens)
4 / 4LEU A 248
MET A 125
ILE A 253
LEU A 110
None
1.40A21.16
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
2xwu IMPORTIN13
(Homo
sapiens)
4 / 4LEU B 130
MET B 135
ILE B 109
LEU B 173
None
1.12A15.17
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
(Homo
sapiens)
4 / 4LEU A 646
MET A 578
ILE A 716
LEU A 651
None
1.30A24.09
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
3bjc CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
(Homo
sapiens)
4 / 4LEU A 646
MET A 578
ILE A 716
LEU A 651
None
1.35A15.75
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
3c5w PP2A A SUBUNIT
(Homo
sapiens)
4 / 4LEU A 411
MET A 427
ILE A  17
LEU A 405
None
1.28A20.21
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM
(Homo
sapiens)
4 / 4LEU A1030
MET A 851
ILE A1048
LEU A 942
None
1.33A13.82
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
3sag EXOSOME COMPONENT 10
(Homo
sapiens)
4 / 4LEU A 544
MET A 579
ILE A 551
LEU A 512
LEU  A 544 ( 0.6A)
MET  A 579 ( 0.0A)
ILE  A 551 ( 0.7A)
LEU  A 512 ( 0.6A)
1.40A22.92
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)
4 / 4LEU B 293
MET B 245
ILE B 131
LEU B 259
None
1.31A17.67
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
4oiv BILE ACID RECEPTOR
(Homo
sapiens)
4 / 4LEU A 388
MET A 381
ILE A 394
LEU A 334
None
1.41A24.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
4p6w GLUCOCORTICOID
RECEPTOR
(Homo
sapiens)
4 / 4LEU A 563
MET A 604
ILE A 747
LEU A 753
MOF  A 801 (-3.9A)
None
MOF  A 801 ( 4.4A)
None
0.38A96.43
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
4pj3 INTRON-BINDING
PROTEIN AQUARIUS
(Homo
sapiens)
4 / 4LEU A1227
MET A1294
ILE A1237
LEU A1275
None
1.33A10.79
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN
(Homo
sapiens)
4 / 4LEU A2001
MET A1820
ILE A2019
LEU A1911
None
1.14A11.69
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
5kc8 GLUTAMATE RECEPTOR
IONOTROPIC, DELTA-2
(Homo
sapiens)
4 / 4LEU A 144
MET A 369
ILE A 119
LEU A 334
None
1.37A21.10
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2
(Homo
sapiens)
4 / 4LEU A 630
MET A 855
ILE A 605
LEU A 820
None
1.41A14.82
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
5kkp PSEUDOURIDYLATE
SYNTHASE 7
(Homo
sapiens)
4 / 4LEU A 531
MET A 487
ILE A 476
LEU A 551
None
1.28A19.16
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)
4 / 4LEU A  63
MET A  29
ILE A  97
LEU A  22
None
1.40A20.63
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM
(Homo
sapiens)
4 / 4LEU A1001
MET A 820
ILE A1019
LEU A 911
None
1.28A15.27
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)
6b5c KATANIN P60
ATPASE-CONTAINING
SUBUNIT A-LIKE 1
(Homo
sapiens)
4 / 4LEU A 355
MET A 336
ILE A 376
LEU A 372
None
1.27A13.96