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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'mueller-vieira' and Initial = 'u'   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM607605
PNG
(US11691960, Example WO2005/111014 Ex. 4)
Show SMILES Cc1cc(NC(=O)C(C)(C)NC(=O)c2ccc(Cl)s2)ccc1C(=O)N1CCCC1
PDB
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607603
PNG
(US11691960, Example WO2005/111029 Ex. 28)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(Cl)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607602
PNG
(US11691960, Example WO2005/111029 Ex. 8)
Show SMILES Cc1cc(NC(=O)C(C)(C)NC(=O)c2ccc(Cl)s2)ccc1N1CCOCC1=O
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607591
PNG
(5-ethynyl-N-(3,3,3-trifluoro-2-((3-methyl-4-(3-oxo...)
Show SMILES Cc1cc(NC(=O)C(CNC(=O)c2ccc(s2)C#C)C(F)(F)F)ccc1N1CCOCC1=O
PDB
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM607601
PNG
(US11691960, Example WO98/22432 example 86)
Show SMILES Cc1ccc(s1)C(=O)NC(C)(C)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
PDB
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM607600
PNG
(US11691960, Example WO98/22432 example 53)
Show SMILES CC(C)(NC(=O)c1cccs1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607604
PNG
(US11691960, Example WO2005/111013 Ex. 22)
Show SMILES CC1CCC(C)N1c1ccc(NC(=O)C(C)(C)NC(=O)c2ccc(Cl)s2)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM607592
PNG
(US11691960, Example 1)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM607594
PNG
(US11691960, Example 3)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607593
PNG
(US11691960, Example 2)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607594
PNG
(US11691960, Example 3)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607595
PNG
(US11691960, Example 4)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607596
PNG
(US11691960, Example 5)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM607593
PNG
(US11691960, Example 2)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM607595
PNG
(US11691960, Example 4)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM607596
PNG
(US11691960, Example 5)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607592
PNG
(US11691960, Example 1)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607593
PNG
(US11691960, Example 2)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607594
PNG
(US11691960, Example 3)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607595
PNG
(US11691960, Example 4)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607596
PNG
(US11691960, Example 5)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607592
PNG
(US11691960, Example 1)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607593
PNG
(US11691960, Example 2)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1
PDB
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607594
PNG
(US11691960, Example 3)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607595
PNG
(US11691960, Example 4)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607596
PNG
(US11691960, Example 5)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607592
PNG
(US11691960, Example 1)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607593
PNG
(US11691960, Example 2)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607594
PNG
(US11691960, Example 3)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607595
PNG
(US11691960, Example 4)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607592
PNG
(US11691960, Example 1)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607599
PNG
(US11691960, Example WO2007/003536 Ex. 159)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ncc2CCN(Cc3ccccc3)CCc2n1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607598
PNG
(US11691960, Example WO2007/003536 Ex. 6)
Show SMILES CC(=O)N1CCc2ccc(NC(=O)C(C)(C)NC(=O)c3ccc(Cl)s3)cc2CC1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607597
PNG
(US11691960, Example WO2007/003536 Ex. 4)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc2CCN(CCc2c1)C(=O)C(F)(F)F
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607596
PNG
(US11691960, Example 5)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607595
PNG
(US11691960, Example 4)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607594
PNG
(US11691960, Example 3)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607593
PNG
(US11691960, Example 2)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1
PDB
MMDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607596
PNG
(US11691960, Example 5)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1
PDB
MMDB

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607592
PNG
(US11691960, Example 1)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
MMDB

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622903
PNG
(US11780827, Example 1)
Show SMILES Fc1cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)cc(c1)C(F)(F)F
PDB

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Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622904
PNG
(US11780827, Example 2)
Show SMILES Fc1cc(Cl)cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)c1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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n/an/an/an/a 9n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622905
PNG
(US11780827, Example 3)
Show SMILES Fc1cc(F)cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)c1
PDB

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


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Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622906
PNG
(US11780827, Example 4)
Show SMILES Fc1cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)cc(F)c1F
PDB

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n/an/an/an/a 5n/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622907
PNG
(US11780827, Example 5)
Show SMILES Fc1ccc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)cc1F
PDB

KEGG

UniProtKB/SwissProt

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


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622908
PNG
(US11780827, Example 6)
Show SMILES FC(F)c1cc(F)cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)c1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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n/an/an/an/a 6n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622909
PNG
(US11780827, Example 7)
Show SMILES Fc1ccc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)cc1Cl
PDB

KEGG

UniProtKB/SwissProt

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


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Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622910
PNG
(US11780827, Example 8)
Show SMILES Fc1cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)cc(Cl)c1F
PDB

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n/an/an/an/a 4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622911
PNG
(US11780827, Example 9)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)(F)F)cnn1
PDB

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


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622912
PNG
(US11780827, Example 10)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(Cl)c2)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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n/an/an/an/a 4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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