Ligand ID: 6ZZ


Drugbank ID:
DB11730
(Ribociclib)


Indication:
Kisqali (ribociclib) is a selective cyclin-dependent kinase inhibitor, a class of drugs that help slow the progression of cancer by inhibiting two proteins called cyclin-dependent kinase 4 and 6 (CDK4/6). These proteins, when over-activated, can enable cancer cells to grow and divide too quickly. Targeting CDK4/6 with enhanced precision may play a role in ensuring that cancer cells do not continue to replicate uncontrollably.

Get human targets for 6ZZ in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '6ZZ' 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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		1z1i 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
LYS A  97
GLN A  69
ASN A  72
1.44A21.93
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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		3 / 3
LYS J  14
GLN I  15
ASN J  25
1.55A9.67
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
ILE D 335
VAL D 333
ALA D 306
VAL D 277
LEU D 309
1.14A18.51
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
ILE C 154
VAL C 152
ALA C 125
VAL C  96
LEU C 128
1.14A22.06
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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)		3 / 3
LYS A  24
GLN A  91
ASN A  29
1.42A15.61
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		6 / 12
ILE B 314
VAL D  77
ALA D  80
VAL D  66
HIS D  95
ASP D  87
1.69A23.87
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
ILE B  42
VAL B  10
ALA B   6
ASP B  39
THR A  48
1.33A23.61
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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		3 / 3
LYS A   5
GLN A 110
ASN A 203
1.74A22.97
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		3e9s NSP3
(SARSr-CoV)		6 / 12
GLY A  29
HIS A  51
THR A  10
LEU A  37
ALA A  40
ASP A  41
1.64A22.00
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		5 / 12
GLY A  62
ALA A  69
HIS A  70
THR A 163
LEU C   4
1.33A20.70
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL D 157
VAL D 148
PHE D 150
THR D  35
LEU D  30
1.39A21.93
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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
LYS A   5
GLN A 110
ASN A 203
1.75A21.93
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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		3 / 3
LYS A 170
GLN A  28
ASN A  29
1.17A21.33
SAM  A 302 (-3.1A)
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		5 / 12
GLY A  29
THR A  10
LEU A  37
ALA A  40
ASP A  41
1.32A22.00
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
GLY C  -1
VAL D 101
ALA D 100
THR D 193
LEU D 105
1.38A17.16
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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		3 / 3
LYS A  25
GLN B  65
ASN B  67
1.74A17.16
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLY A  29
THR A  10
LEU A  37
ALA A  40
ASP A  41
1.26A22.32
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
ALA M   1
HIS M   0
THR A 193
ALA M   4
ASP A  10
1.32A15.96
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 12
ILE A 228
GLY A 104
VAL A 196
PHE A 187
THR A 160
LEU A 222
1.67A20.62
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLY C  68
PHE C 231
ASP C  77
THR C  75
ALA C 233
1.37A12.76
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 12
VAL A 842
ALA A 714
HIS A1040
ASP A 812
THR A 809
ALA A 938
1.32A12.59
VAL  A 842 ( 0.6A)
ALA  A 714 ( 0.0A)
HIS  A1040 ( 1.0A)
ASP  A 812 ( 0.5A)
THR  A 809 ( 0.8A)
ALA  A 938 ( 0.0A)
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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
LYS A 190
GLN B 549
ASN B 505
1.57A12.59
LYS  A 190 ( 0.0A)
GLN  B 549 ( 0.6A)
ASN  B 505 ( 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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
LYS B 333
GLN A 112
ASN A 158
1.69A12.68
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE B 228
GLY B 104
VAL B 196
PHE B 187
LEU B 194
1.16A12.68
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		6 / 12
ILE B 228
GLY B 104
VAL B 196
PHE B 187
THR B 160
LEU B 222
1.53A13.38
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
VAL B 842
ALA B 714
HIS B1040
THR B 809
ALA B 938
1.19A12.66
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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
LYS B1020
GLN B1088
ASN B1090
1.78A12.66
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 12
ALA A  49
VAL A  28
PHE A  33
ASP A 177
LEU A 179
1.24A21.30
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		6jyt HELICASE
(SARSr-CoV)		5 / 12
GLY A 196
VAL A 157
THR A 199
LEU A 163
ASP A 223
1.31A22.89
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
GLY H 162
VAL H 182
ALA H 137
PHE L 118
THR L 172
1.72A18.60
None