Ligand ID: RKE


Drugbank ID:
DB01221
(Ketamine)


Indication:
Ketamine is indicated as an anesthetic agent for recommended diagnostic and surgical procedures. If skeletal muscle relaxation is needed, it should be combined with a muscle relaxant. If the surgical procedure involves visceral pain, it should be supplemented with an agent that obtunds visceral pain. Ketamine can be used for induction of anesthesia prior other general anesthetic agents and as a supplement of low potency agents.[L1336, FDA label]

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'RKE' 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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		2ajf SPIKE PROTEIN
(SARSr-CoV)		4 / 8
ASP F 392
ASP F 393
VAL F 337
PHE F 483
1.05A18.67
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP S 392
ASP S 393
VAL S 337
PHE S 483
1.06A19.94
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 8
ASP A  64
ASP A  64
VAL A  78
LEU A  93
1.01A17.35
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP C 392
ASP C 393
VAL C 337
PHE C 483
1.25A19.94
 CL  C  20 ( 4.9A)
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
ASP B 300
VAL B 236
PHE B 221
LEU B 227
1.23A22.38
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
ASP C 300
VAL C 236
PHE C 221
LEU C 227
1.24A22.38
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		4 / 8
ASP A 392
ASP A 393
VAL A 337
PHE A 483
1.18A20.07
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP F 392
ASP F 393
VAL F 337
PHE F 483
1.18A18.99
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP F 392
ASP F 393
VAL F 337
PHE F 483
1.23A18.99
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP E 392
ASP E 393
VAL E 337
PHE E 483
1.24A19.30
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		3i6k BETA-2-MICROGLOBULIN
(Homo
sapiens)		4 / 8
ASP B  34
VAL B  82
PHE B  30
LEU B  64
1.39A16.88
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP F 392
ASP F 393
VAL F 337
PHE F 483
1.20A21.45
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP E 392
ASP E 393
VAL E 337
PHE E 483
1.21A18.67
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP E 392
ASP E 393
VAL E 337
PHE E 483
1.17A18.99
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP F 392
ASP F 393
VAL F 337
PHE F 483
1.32A18.67
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		4 / 8
ASP A 302
VAL A 268
LEU A 284
LYS A 291
1.34A19.73
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
ASP B 376
VAL B 369
PHE B 379
LEU B 503
1.26A13.53
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
TYR B 494
ASP B 392
ASP B 393
PHE B 483
1.25A14.04
TYR  B 494 ( 1.3A)
ASP  B 392 ( 0.5A)
ASP  B 393 ( 0.5A)
PHE  B 483 ( 1.3A)
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP B 392
ASP B 393
VAL B 337
PHE B 483
1.14A14.04
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ASP A 392
ASP A 393
VAL A 337
PHE A 483
1.17A14.02
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		6m1d ACE2
(Homo
sapiens)		4 / 8
TYR B 649
ASP B 713
PHE D 715
LEU D 642
1.17A16.81
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		6nus NSP12
(SARSr-CoV)		4 / 8
TYR A 175
ASP A 164
PHE A 134
LEU A 142
1.31A15.03
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ASP E 405
ASP E 406
VAL E 350
PHE E 497
1.25A19.17
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
TYR L 186
ASP L 122
VAL L 133
PHE L 209
1.72A20.00
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.
4F8H_E_RKEE401_1
(PROTON-GATED ION
CHANNEL)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
VAL L  64
LYS B   0
TYR L  42
ASP H 107
1.76A
None
MLI  B 303 (-4.6A)
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR L 192
ASP L 128
VAL L 139
PHE L 215
1.75A
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.
4F8H_C_RKEC401_1
(PROTON-GATED ION
CHANNEL)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR L  42
ASP H 107
VAL L  64
LYS B   0
1.78A
None
None
None
MLI  B 303 (-4.6A)
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.
4F8H_D_RKED401_1
(PROTON-GATED ION
CHANNEL)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR L 192
ASP L 128
VAL L 139
PHE L 215
1.79A
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.
4F8H_C_RKEC401_1
(PROTON-GATED ION
CHANNEL)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR C  42
ASP B 107
VAL C  64
LYS H   0
1.76A
None
None
None
MLI  B 303 (-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.
4F8H_D_RKED401_1
(PROTON-GATED ION
CHANNEL)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR C  42
ASP B 107
VAL C  64
LYS H   0
1.75A
None
None
None
MLI  B 303 (-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.
4F8H_C_RKEC401_1
(PROTON-GATED ION
CHANNEL)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR L 192
ASP L 128
VAL L 139
PHE L 215
1.79A
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.
4F8H_D_RKED401_1
(PROTON-GATED ION
CHANNEL)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR L  42
ASP H 107
VAL L  64
LYS B   0
1.76A
None
None
None
MLI  B 303 (-4.6A)
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.
4F8H_B_RKEB401_1
(PROTON-GATED ION
CHANNEL)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR L  42
ASP H 107
VAL L  64
LYS B   0
1.74A
None
None
None
MLI  B 303 (-4.6A)
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.
4F8H_B_RKEB401_1
(PROTON-GATED ION
CHANNEL)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR C  42
ASP B 107
VAL C  64
LYS H   0
1.73A
None
None
None
MLI  B 303 (-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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR C  42
ASP B 107
VAL C  64
LYS H   0
1.77A
None
None
None
MLI  B 303 (-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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR C 192
ASP C 128
VAL C 139
PHE C 215
1.71A
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.
4F8H_E_RKEE401_1
(PROTON-GATED ION
CHANNEL)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
VAL C  64
LYS H   0
TYR C  42
ASP B 107
1.74A
None
MLI  B 303 (-4.3A)
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR L 192
ASP L 128
VAL L 139
PHE L 215
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
TYR C 192
ASP C 128
VAL C 139
PHE C 215
1.75A
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.
4F8H_C_RKEC401_1
(PROTON-GATED ION
CHANNEL)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
TYR L 192
ASP L 128
VAL L 139
PHE L 215
1.79A
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.
4F8H_D_RKED401_1
(PROTON-GATED ION
CHANNEL)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
TYR C 192
ASP C 128
VAL C 139
PHE C 215
1.79A
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
TYR L 192
ASP L 128
VAL L 139
PHE L 215
1.75A
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.
4F8H_D_RKED401_1
(PROTON-GATED ION
CHANNEL)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
TYR L 192
ASP L 128
VAL L 139
PHE L 215
1.79A
None