Ligand ID: EQI


Drugbank ID:
DB02187
(Equilin)


Indication:
For the treatment of moderate to severe vasomotor symptoms associated with the menopause, atrophic vaginitis, osteoporosis, hypoestrogenism due to hypogonadism, castration, primary ovarian failure, breast cancer (for palliation only), and Advanced androgen-dependent carcinoma of the prostate (for palliation only)

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

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

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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))		1uw7 NSP9
(SARS-COV
HKU-39849)		5 / 10
SER A 105
VAL A 102
LEU A  88
GLY A 100
GLU A  70
1.78A16.31
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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 10
VAL A 303
LEU A 227
TYR A 225
GLY A 300
TYR A 237
1.72A23.29
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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 10
VAL C 282
GLY C 413
PRO C 412
TYR C 296
ARG C 278
1.78A22.24
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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))		5x4r S PROTEIN
(MERS-CoV)		5 / 10
VAL A 263
LEU A 265
GLY A 262
PRO A 285
TYR A 243
1.52A20.44
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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))		5x59 S PROTEIN
(MERS-CoV)		5 / 10
VAL B 263
LEU B 265
GLY B 262
PRO B 285
TYR B 243
1.51A12.94
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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))		6acg ACE2
(Homo
sapiens)		5 / 10
VAL D 447
LEU D 236
GLY D 448
PRO D 451
GLU D 238
1.78A18.45
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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
VAL B 382
LEU B 390
TYR B 365
GLY B 431
HIS B 519
1.48A14.41
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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 10
SER H  99
TYR L  96
GLY H  97
TYR L  36
GLU L  55
1.72A16.41
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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 10
SER H 103
TYR L 102
GLY H 101
TYR L  42
GLU L  61
1.77A19.48
None