Ligand ID: CRN


Drugbank ID:
DB00148
(Creatine)


Indication:
For nutritional supplementation, also for treating dietary shortage or imbalance.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CRN' AND SARS-COV-2 / COVID-19 STRUCTURES

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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
THR A 304
VAL A 303
GLU C 166
SER A 301
1.61A22.42
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
THR B 304
VAL B 303
GLU D 166
SER B 301
1.80A22.42
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6m71 NSP12
NSP8
(SARS-CoV-2)		4 / 6
THR B  84
VAL B  83
LEU A 372
SER A 518
1.76A18.18
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6m71 NSP12
(SARS-CoV-2)		4 / 6
VAL A 609
LEU A 805
CYH A 765
SER A 754
0.98A18.46
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6m71 NSP7
(SARS-CoV-2)		4 / 6
THR C   9
VAL C  11
LEU C  55
SER C  15
1.72A12.80
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6m71 NSP8
(SARS-CoV-2)		4 / 6
THR B 187
VAL B 186
LEU B 128
CYH B 142
1.68A18.18
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 6
THR A  99
LEU A  58
GLU A  57
SER A 104
1.62A23.57
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		6vxs NSP3
(SARS-CoV-2)		4 / 8
HIS A  86
HIS A  94
TYR A  68
GLU A  64
1.74A
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
THR C  29
VAL C  62
LEU C 216
GLU C 191
1.45A15.35
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
THR A  29
VAL A  62
LEU A 216
SER A  60
1.39A15.43
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6w4h NSP16
(SARS-CoV-2)		4 / 6
THR A6880
VAL A6882
LEU A6887
CYH A6849
1.53A21.93
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
THR A6880
VAL A6882
LEU A6887
CYH A6849
1.58A
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6w75 NSP16
(SARS-CoV-2)		4 / 6
THR C6880
VAL C6882
LEU C6887
CYH C6849
1.55A16.16
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6w75 NSP16
(SARS-CoV-2)		4 / 6
THR A6880
VAL A6882
LEU A6887
CYH A6849
1.55A16.16
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
THR A6880
VAL A6882
LEU A6887
CYH A6849
1.55A
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
THR C6880
VAL C6882
LEU C6887
CYH C6849
1.54A
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6wkq NSP16
(SARS-CoV-2)		4 / 6
THR C6880
VAL C6882
LEU C6887
CYH C6849
1.54A
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6wkq NSP10
(SARS-CoV-2)		4 / 6
THR B4364
VAL B4361
CYH B4294
SER B4325
1.65A
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6wkq NSP16
(SARS-CoV-2)		4 / 6
THR A6880
VAL A6882
LEU A6887
CYH A6849
1.55A
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 6
THR A  99
LEU A  58
GLU A  57
SER A 104
1.64A
None
None
EDO  A 403 (-3.6A)
EDO  A 403 (-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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
THR A6880
VAL A6882
LEU A6887
CYH A6849
1.55A
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.61A13.62
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.65A13.62
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.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.63A13.40
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.61A13.40
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.64A13.62
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.63A
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		7btf NSP8
(SARS-CoV-2)		4 / 6
THR B 187
VAL B 186
LEU B 128
CYH B 142
1.72A
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.62A13.40
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.63A13.40
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.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.62A13.62
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		7btf NSP7
(SARS-CoV-2)		4 / 6
THR C   9
VAL C  11
LEU C  55
SER C  15
1.73A
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 7
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.62A13.40
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		7btf NSP12
(SARS-CoV-2)		4 / 6
VAL A 609
LEU A 805
CYH A 765
SER A 754
1.31A
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLU A 658
ASP A 684
TYR A 689
HIS A 572
1.63A13.62
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		7bv1 NSP12
NSP8
(SARS-CoV-2)		4 / 6
THR B  84
VAL B  83
LEU A 372
SER A 518
1.59A
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		7bv2 NSP8
(SARS-CoV-2)		4 / 6
THR B 187
VAL B 186
LEU B 128
CYH B 142
1.70A
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		7bv2 NSP12
(SARS-CoV-2)		4 / 6
VAL A 609
LEU A 805
CYH A 765
SER A 754
1.03A
None