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Compile Data Set for Download or QSAR

Found 693 hits with Last Name = 'sharma' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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0.600n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599882
PNG
(CHEMBL5198353)
Show SMILES Fc1cc(COC2CCN(Cc3ccc4[nH]ncc4c3)CC2)ccc1Cl
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0.700n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599883
PNG
(CHEMBL5196213)
Show SMILES FC(F)(F)c1cccc(COC2CCN(Cc3ccc4[nH]ncc4c3)CC2)c1
PDB

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1.20n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599885
PNG
(CHEMBL5201507)
Show SMILES Cn1ncc2cc(CN3CCC(CC3)OCc3ccc(Cl)c(F)c3)ccc12
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1.30n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599886
PNG
(CHEMBL5175548)
Show SMILES Cn1ncc2cc(CN3CCC(CC3)OCc3cccc(c3)C(F)(F)F)ccc12
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1.70n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599884
PNG
(CHEMBL5209344)
Show SMILES Cn1ncc2cc(CN3CCC(CC3)OCc3ccc(F)c(F)c3)ccc12
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1.80n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599881
PNG
(CHEMBL5203807)
Show SMILES Fc1ccc(COC2CCN(Cc3ccc4[nH]ncc4c3)CC2)cc1F
PDB

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1.80n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599868
PNG
(CHEMBL5196102)
Show SMILES Fc1cc(COC2CCN(Cc3cn4ccccc4n3)CC2)ccc1Cl
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2.30n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599848
PNG
(CHEMBL5182191)
Show SMILES COc1ccc(CN2CCC[C@@H](C2)OCc2ccc(F)c(C)c2)cc1F |r|
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2.40n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599876
PNG
(CHEMBL5187721)
Show SMILES Fc1cc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)ccc1Cl
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3.10n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50156941
PNG
(CHEMBL3793438)
Show SMILES C(Oc1ccccc1)[C@@H]1CN(Cc2ccc3[nH]ccc3c2)CCO1 |r|
Show InChI InChI=1S/C20H22N2O2/c1-2-4-18(5-3-1)24-15-19-14-22(10-11-23-19)13-16-6-7-20-17(12-16)8-9-21-20/h1-9,12,19,21H,10-11,13-15H2/t19-/m0/s1
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Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
CHEMBL3905761
PNG
PDB

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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599867
PNG
(CHEMBL5179198)
Show SMILES FC(F)(F)c1cccc(COC2CCN(Cc3cn4ccccc4n3)CC2)c1
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3.5n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
CHEMBL5269586
PNG
PDB

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3.60n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599876
PNG
(CHEMBL5187721)
Show SMILES Fc1cc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)ccc1Cl
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3.90n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599846
PNG
(CHEMBL5207898)
Show SMILES COc1ccc(CN2CCC[C@@H](C2)OCc2cccc(F)c2)cc1F |r|
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4.30n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50156950
PNG
(CHEMBL3793910)
Show SMILES COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1F |r|
Show InChI InChI=1S/C19H22FNO3/c1-22-19-8-7-15(11-18(19)20)12-21-9-10-23-17(13-21)14-24-16-5-3-2-4-6-16/h2-8,11,17H,9-10,12-14H2,1H3/t17-/m0/s1
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5n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599866
PNG
(CHEMBL5208124)
Show SMILES Fc1ccc(COC2CCN(Cc3cn4ccccc4n3)CC2)cc1F
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5.20n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
CHEMBL5287836
PNG
PDB

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5.20n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599850
PNG
(CHEMBL5187429)
Show SMILES COc1ccc(CN2CCC[C@@H](C2)OCc2ccc(C)cc2)cc1F |r|
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5.5n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
CHEMBL5274285
PNG
PDB

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5.5n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599864
PNG
(CHEMBL5189986)
Show SMILES Cc1ccc(CN2CCC[C@@H](C2)OCc2ccc(F)c(C)c2)cc1 |r|
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6.5n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
CHEMBL5289958
PNG
PDB

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7.10n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599888
PNG
(CHEMBL5170670)
Show SMILES Fc1ccc(COC2CCN(Cc3cc4ccc(Cl)cc4[nH]3)CC2)cc1F
PDB

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8.10n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599878
PNG
(CHEMBL5170381)
Show SMILES Fc1ccc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)cc1F
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8.30n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599851
PNG
(CHEMBL5199649)
Show SMILES COc1ccc(CN2CCC[C@@H](C2)OCc2ccccc2C)cc1F |r|
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8.70n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599849
PNG
(CHEMBL5184607)
Show SMILES COc1ccc(CN2CCC[C@H](C2)OCc2ccc(F)c(C)c2)cc1F |r|
PDB

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8.80n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50599884
PNG
(CHEMBL5209344)
Show SMILES Cn1ncc2cc(CN3CCC(CC3)OCc3ccc(F)c(F)c3)ccc12
UniProtKB/SwissProt

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10n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599880
PNG
(CHEMBL5173368)
Show SMILES Cn1cnc2cc(CN3CCC(CC3)OCc3ccc(F)c(F)c3)ccc12
PDB

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11n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
CHEMBL5272689
PNG
PDB

UniProtKB/SwissProt

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11n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599878
PNG
(CHEMBL5170381)
Show SMILES Fc1ccc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)cc1F
PDB

UniProtKB/SwissProt

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12n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599874
PNG
(CHEMBL5190239)
Show SMILES Cc1nc(CN2CCC(CC2)OCc2ccc(Cl)c(F)c2)c2ccccn12
PDB

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12n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599879
PNG
(CHEMBL5181334)
Show SMILES Cn1cnc2cc(CN3CCC(CC3)OCc3cccc(c3)C(F)(F)F)ccc12
PDB

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12n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599889
PNG
(CHEMBL5193761)
Show SMILES FC(F)(F)c1cccc(COC2CCN(Cc3cc4ccc(Cl)cc4[nH]3)CC2)c1
PDB

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14n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599863
PNG
(CHEMBL5174753)
Show SMILES Cc1ccc(CO[C@H]2CCCN(Cc3ccc(cc3)C#N)C2)cc1 |r|
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14n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
CHEMBL5288366
PNG
PDB

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14n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
CHEMBL5288298
PNG
PDB

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16n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
CHEMBL5269361
PNG
PDB

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18n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
CHEMBL5188139
PNG
PDB

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19n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
CHEMBL5285555
PNG
PDB

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19n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
CHEMBL5282085
PNG
PDB

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23n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
CHEMBL5269586
PNG
UniProtKB/SwissProt

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23n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
CHEMBL5274285
PNG
UniProtKB/SwissProt

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23n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
CHEMBL5272393
PNG
PDB

UniProtKB/SwissProt

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27n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599877
PNG
(CHEMBL5182602)
Show SMILES FC(F)(F)c1cccc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)c1
PDB

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27n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
CHEMBL5282085
PNG
PDB

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28n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599887
PNG
(CHEMBL5171772)
Show SMILES Fc1cc(COC2CCN(Cc3cc4ccc(Cl)cc4[nH]3)CC2)ccc1Cl
PDB

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29n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
CHEMBL5289958
PNG
UniProtKB/SwissProt

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30n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50599869
PNG
(CHEMBL5206427)
Show SMILES Fc1cc(COC2CCN(Cc3ncc4ccccn34)CC2)ccc1Cl
PDB

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31n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
CHEMBL5206646
PNG
PDB

UniProtKB/SwissProt

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31n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
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