Ligand ID: CLY


Drugbank ID:
DB01190
(Clindamycin)


Indication:
For the treatment of serious infections caused by susceptible anaerobic bacteria, including Bacteroides spp., Peptostreptococcus, anaerobic streptococci, Clostridium spp., and microaerophilic streptococci. May be useful in polymicrobic infections such as intra-abdominal or pelvic infections, osteomyelitis, diabetic foot ulcers, aspiration pneumonia and dental infections. May also be used to treat MSSA and respiratory infections caused by S. pneumoniae and S. pyogenes in patients who are intolerant to other indicated antibiotics or who are infected with resistant organism. May be used vaginally to treat vaginosis caused by Gardnerella vaginosa. Clindamycin reduces the toxin producing effects of S. aureus and S. pyogenes and as such, may be particularly useful for treating necrotizing fasciitis. May be used topically to treat acne.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CLY' 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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
TYR B 126
GLU B 290
PHE A   3
ILE A 281
1.32A20.72
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.
3JZ0_A_CLYA900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		2ajf ACE2
(Homo
sapiens)		5 / 10
TYR B 515
GLU B 402
PHE B 512
SER B 511
ILE B 513
1.50A18.07
None
ZN  B 901 (-2.6A)
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
TYR B 126
GLU B 290
PHE A 291
ILE A 281
1.40A21.13
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
TYR D 237
TYR D 225
PHE D 232
ILE D 235
1.20A22.72
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		2w2g NSP3
(SARSr-CoV)		4 / 8
GLU B 438
TYR B 443
SER B 451
ILE B 454
1.41A22.67
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
GLU A 402
PHE A 512
SER A 511
ILE A 513
1.39A17.91
 ZN  A 901 (-2.4A)
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.
3JZ0_A_CLYA900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
TYR A 515
GLU A 402
PHE A 512
SER A 511
ILE A 513
1.55A17.91
None
ZN  A 901 (-4.0A)
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		3sci ACE2
(Homo
sapiens)		4 / 8
TYR A 587
GLU A 406
PHE A 588
ILE A 233
1.31A18.35
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.
3JZ0_A_CLYA900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
TYR B 515
GLU B 402
PHE B 512
SER B 511
ILE B 513
1.47A18.51
None
ZN  B 901 (-2.2A)
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
TYR A 587
GLU A 406
PHE A 588
ILE A 233
1.39A18.51
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
TYR D 446
TYR D 494
GLU D 490
SER D 319
1.22A18.77
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.
3JZ0_A_CLYA900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
GLU D 490
TYR D 494
TYR B 361
SER D 319
ILE D 474
1.69A18.77
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
TYR B 446
TYR B 494
GLU B 490
SER B 319
1.24A18.93
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.
3JZ0_A_CLYA900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
GLU D 490
TYR D 494
TYR B 361
SER D 319
ILE D 474
1.77A18.93
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
GLU A 490
TYR A 494
SER A 319
ILE A 474
1.38A19.77
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
GLU B 452
TYR B 410
TYR B 383
ILE B 455
1.32A12.91
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
TYR C  41
TYR C 195
PHE C 220
ILE C 219
1.41A13.08
TYR  C  41 ( 1.3A)
TYR  C 195 ( 1.3A)
PHE  C 220 ( 1.3A)
ILE  C 219 ( 0.7A)
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.
3JZ0_A_CLYA900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		6acg ACE2
(Homo
sapiens)		5 / 10
TYR D 515
GLU D 402
PHE D 512
SER D 511
ILE D 513
1.42A18.35
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
GLU A 640
TYR A 677
PHE A 629
ILE A 637
1.39A12.85
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
GLU C 452
TYR C 410
TYR C 383
ILE C 455
1.23A12.85
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		6iex BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
TYR B  63
GLU A 232
PHE A   8
ILE A  23
1.46A15.14
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		6jyt HELICASE
(SARSr-CoV)		4 / 8
TYR A 306
PHE A 357
SER A 331
ILE A 333
1.38A18.40
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.
3JZ0_A_CLYA900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		6jyt HELICASE
(SARSr-CoV)		5 / 10
GLU B 197
TYR B 198
TYR B 217
PHE B 225
ILE B 151
1.70A18.40
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		6m17 ACE2
(Homo
sapiens)		4 / 8
TYR B 587
GLU B 435
SER B 411
ILE B 544
1.32A17.23
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		6nus NSP12
(SARSr-CoV)		4 / 8
TYR A 619
TYR A 788
PHE A 694
ILE A 757
1.28A15.09
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		6vw1 ACE2
(Homo
sapiens)		4 / 8
TYR A 587
GLU A 435
SER A 411
ILE A 544
1.24A18.07
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
TYR L  36
TYR L  49
GLU L  55
ILE L  21
1.78A18.12
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
TYR L  86
PHE L  62
SER L  63
ILE L  48
1.76A18.12
None