Ligand ID: CLS


Drugbank ID:
DB00456
(Cefalotin)


Indication:
Used to prevent infection during surgery and to treat many kinds of infections of the blood, bone or joints, respiratory tract, skin, and urinary tract.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CLS' 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.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 10
GLY A 279
LEU A 275
TYR A 295
THR A 258
GLY A 260
1.71A18.93
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.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 10
GLY C  98
LEU C  94
TYR C 114
THR C  77
GLY C  79
1.68A18.08
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.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		2w2g NSP3
(SARSr-CoV)		5 / 10
GLY B 614
LEU B 617
ASN B 616
THR B 612
GLY B 609
1.72A22.50
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.
4KOX_A_CLSA205_1
(UNCHARACTERIZED
PROTEIN)		3d0i ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
TYR F 436
GLY F 434
ASN F 435
TYR B  41
ARG F 479
1.75A21.16
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.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		3i6g BETA-2-MICROGLOBULIN
HLA, A-2
(Homo
sapiens)		5 / 10
GLY A 237
ASN B  24
TYR B  67
THR A 240
GLY A 239
1.78A21.43
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.
2ZQ9_A_CLSA11_1
(BETA-LACTAMASE
TOHO-1)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
GLU C 290
ARG A 131
ASN A 203
ASP C 289
1.62A21.99
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.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 10
LEU B 163
TYR B 274
TYR B 269
THR B 266
GLY B 267
1.70A24.79
GRM  B 801 ( 4.7A)
GRM  B 801 (-4.4A)
GRM  B 801 (-3.5A)
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.
4KOX_A_CLSA205_1
(UNCHARACTERIZED
PROTEIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 11
CYH N  41
PRO B  24
ASN N  40
ARG B  53
LEU B  18
1.77A19.77
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.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
GLY A 653
LEU B 831
GLN A 630
THR B 848
GLY A 655
1.45A14.53
None
None
NAG  A1308 ( 3.7A)
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.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		6nus NSP12
(SARSr-CoV)		5 / 10
GLN A 661
TYR A 530
ASN A 657
THR A 344
GLY A 345
1.69A16.61
None