Ligand ID: CIL


Drugbank ID:
DB01597
(Cilastatin)


Indication:
Combined intravenously with imipenem in order to protect it from dehydropeptidase and prolong its antibacterial effect.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CIL'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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 through 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.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
ASP B 248
HIS B 276
HIS B 227
ASN B 222
PRO B 256
1.75A20.27
None
None
None
GOL  B1004 (-3.8A)
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.
1ITU_B_CILB452_1
(RENAL DIPEPTIDASE)		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		5 / 12
HIS D 114
HIS D  74
TYR D 123
ASP D  77
VAL F   8
1.53A21.28
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.
1ITU_B_CILB452_1
(RENAL DIPEPTIDASE)		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		5 / 12
TYR C   6
HIS A  74
TYR A 123
ASP A  77
VAL C   8
1.64A3.06
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.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		3sci ACE2
(Homo
sapiens)		5 / 12
TYR B 237
HIS B 241
ARG B 245
ASN B 599
TYR B 243
1.71A19.77
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.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
ASP B  90
GLU B  92
HIS B 148
HIS B 268
ASN B 266
1.56A22.33
 MG  B 604 (-3.2A)
None
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.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
ASP B  90
GLU B  92
HIS B 148
HIS B 268
ASN B 266
1.60A22.29
 MG  B 604 (-2.9A)
None
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.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		6w02 NSP3
(SARS-CoV-2)		5 / 12
ASP B  66
HIS B  94
HIS B  45
ASN B  40
PRO B  74
1.75A23.55
None
None
None
APR  B 201 (-3.8A)
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.
1ITU_B_CILB452_1
(RENAL DIPEPTIDASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 291
HIS A 309
TYR A 238
ASP A 235
VAL A 234
1.79A17.49
None