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Compile Data Set for Download or QSAR

Found 27 hits of ic50 data for polymerid = 50006984   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50124579
PNG
(CHEMBL3621532)
Show SMILES OC[C@]12CCC(=O)N1C[C@H](O)[C@@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C9H15NO5/c11-4-9-2-1-6(13)10(9)3-5(12)7(14)8(9)15/h5,7-8,11-12,14-15H,1-4H2/t5-,7+,8-,9-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Savitribai Phule Pune University (formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha-mannosidase using 10 mM p-nitrophenyl-alpha-D-mannopyranoside as substrate


J Med Chem 58: 7820-32 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00951
BindingDB Entry DOI: 10.7270/Q2G73GKX
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50124578
PNG
(CHEMBL3621533)
Show SMILES OC[C@@]12CCC(=O)N1C[C@H](O)[C@@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C9H15NO5/c11-4-9-2-1-6(13)10(9)3-5(12)7(14)8(9)15/h5,7-8,11-12,14-15H,1-4H2/t5-,7+,8-,9+/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Savitribai Phule Pune University (formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha-mannosidase using 10 mM p-nitrophenyl-alpha-D-mannopyranoside as substrate


J Med Chem 58: 7820-32 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00951
BindingDB Entry DOI: 10.7270/Q2G73GKX
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50124580
PNG
(CHEMBL3621530)
Show SMILES OC[C@@]12CCC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C9H15NO5/c11-4-9-2-1-6(13)10(9)3-5(12)7(14)8(9)15/h5,7-8,11-12,14-15H,1-4H2/t5-,7-,8+,9-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Savitribai Phule Pune University (formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha-mannosidase using 10 mM p-nitrophenyl-alpha-D-mannopyranoside as substrate


J Med Chem 58: 7820-32 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00951
BindingDB Entry DOI: 10.7270/Q2G73GKX
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50551001
PNG
(CHEMBL4745549)
Show SMILES OCc1ccc2CO[C@@H](Cn12)c1ccc(O)cc1 |r|
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n/an/a 1.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50071931
PNG
(CHEMBL3407639)
Show SMILES Clc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H14ClN3OS/c22-17-11-5-14(6-12-17)13-23-25-20(26)15-7-9-16(10-8-15)21-24-18-3-1-2-4-19(18)27-21/h1-13H,(H,25,26)/b23-13+
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n/an/a 1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50550998
PNG
(CHEMBL4788384)
Show SMILES Oc1ccc(\C=C2/C(=O)Nc3cc(Cl)ccc23)cc1O
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n/an/a 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50551000
PNG
(CHEMBL4751456)
Show SMILES CC(C)c1ccc(\C=C2/C(=O)Nc3cc(Cl)ccc23)cc1
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n/an/a 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50550999
PNG
(CHEMBL4796653)
Show SMILES [O-][N+](=O)c1ccccc1\C=C1/C(=O)Nc2cc(Cl)ccc12
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n/an/a 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50550996
PNG
(CHEMBL4783560)
Show SMILES OC[C@@H]1N[C@H]([C@H](O)[C@H]1O)c1ccc(O)cc1 |r|
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n/an/a 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50550995
PNG
(L-RADICAMINE A)
Show SMILES COc1ccc(cc1O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
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n/an/a 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50341204
PNG
((Z)-3-butylidenephthalide | CHEMBL1765390)
Show SMILES CCC\C=C1\OC(=O)c2ccccc12
Show InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+
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n/an/a 4.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50551006
PNG
(CHEMBL4800248)
Show SMILES CCOC(=O)c1ccc(cc1)-n1c(CO)ccc1\C=C1/OC(=O)c2c1cc(C)[nH]c2=O
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n/an/a 4.12E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM24783
PNG
(4H-chromen-4-one | chromone, 12)
Show SMILES O=c1ccoc2ccccc12
Show InChI InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
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n/an/a 4.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 4.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM92460
PNG
(Casuarine)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H](O)[C@@H](O)CN12
Show InChI InChI=1S/C8H15NO5/c10-2-3-6(12)8(14)5-7(13)4(11)1-9(3)5/h3-8,10-14H,1-2H2/t3-,4+,5-,6-,7-,8-/m1/s1
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n/an/a 5.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50551004
PNG
(CHEMBL4758678)
Show SMILES Cc1cc2\C(OC(=O)c2c(=O)[nH]1)=C\c1ccc(CO)n1-c1ccccc1
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n/an/a 6.14E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 7.59E+4n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly

Curated by ChEMBL


Assay Description
Inhibition of Canavalia ensiformis alpha-mannosidase using p-nitrophenyl-alpha-D-mannopyranoside as substrate preincubated for 1 hr followed by subst...


Bioorg Med Chem Lett 27: 5291-5295 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.025
BindingDB Entry DOI: 10.7270/Q27H1N5F
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50451726
PNG
(CHEMBL4215543)
Show SMILES [H][C@@]1(N[C@@H](CO)[C@H]1O)[C@@H](O)CO |r|
Show InChI InChI=1S/C6H13NO4/c8-1-3-6(11)5(7-3)4(10)2-9/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1
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n/an/a 7.60E+4n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly

Curated by ChEMBL


Assay Description
Inhibition of Canavalia ensiformis alpha-mannosidase using p-nitrophenyl-alpha-D-mannopyranoside as substrate preincubated for 1 hr followed by subst...


Bioorg Med Chem Lett 27: 5291-5295 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.025
BindingDB Entry DOI: 10.7270/Q27H1N5F
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50451728
PNG
(CHEMBL4208842)
Show SMILES CN1[C@@H](CO)[C@@H](O)[C@H]1C(O)=O |r|
Show InChI InChI=1S/C6H11NO4/c1-7-3(2-8)5(9)4(7)6(10)11/h3-5,8-9H,2H2,1H3,(H,10,11)/t3-,4-,5+/m0/s1
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n/an/a 8.38E+4n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly

Curated by ChEMBL


Assay Description
Inhibition of Canavalia ensiformis alpha-mannosidase using p-nitrophenyl-alpha-D-mannopyranoside as substrate preincubated for 1 hr followed by subst...


Bioorg Med Chem Lett 27: 5291-5295 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.025
BindingDB Entry DOI: 10.7270/Q27H1N5F
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50551002
PNG
(CHEMBL4750240)
Show SMILES Cc1cc2\C(OC(=O)c2c(=O)[nH]1)=C\c1ccc(CO)n1Cc1ccccc1
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n/an/a 9.23E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50174837
PNG
(4'-(p-toluenesulfonamide)-3,4-dihydroxy chalcone |...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H19NO5S/c1-15-2-10-19(11-3-15)29(27,28)23-18-8-6-17(7-9-18)20(24)12-4-16-5-13-21(25)22(26)14-16/h2-14,23,25-26H,1H3/b12-4+
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n/an/a 1.05E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50174835
PNG
(4'-(4-toluenesulfonamido)-4-hydroxychalcone | 4'-(...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C22H19NO4S/c1-16-2-13-21(14-3-16)28(26,27)23-19-9-7-18(8-10-19)22(25)15-6-17-4-11-20(24)12-5-17/h2-15,23-24H,1H3/b15-6+
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n/an/a 1.05E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50174834
PNG
(CHEMBL382280 | N-(3-(3-(4-hydroxyphenyl)acryloyl)p...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C22H19NO4S/c1-16-5-12-21(13-6-16)28(26,27)23-19-4-2-3-18(15-19)22(25)14-9-17-7-10-20(24)11-8-17/h2-15,23-24H,1H3/b14-9+
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n/an/a 1.05E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50174833
PNG
(CHEMBL199442 | N-(3-(3-(3,4-dihydroxyphenyl)acrylo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H19NO5S/c1-15-5-9-19(10-6-15)29(27,28)23-18-4-2-3-17(14-18)20(24)11-7-16-8-12-21(25)22(26)13-16/h2-14,23,25-26H,1H3/b11-7+
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n/an/a 1.05E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50451727
PNG
(CHEMBL4218600)
Show SMILES OC[C@H]1N[C@@H](CO)[C@H]1O |r|
Show InChI InChI=1S/C5H11NO3/c7-1-3-5(9)4(2-8)6-3/h3-9H,1-2H2/t3-,4+,5+
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n/an/a 2.00E+5n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly

Curated by ChEMBL


Assay Description
Inhibition of Canavalia ensiformis alpha-mannosidase using p-nitrophenyl-alpha-D-mannopyranoside as substrate preincubated for 1 hr followed by subst...


Bioorg Med Chem Lett 27: 5291-5295 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.025
BindingDB Entry DOI: 10.7270/Q27H1N5F
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50016703
PNG
(2-Hydroxymethyl-pyrrolidine-3,4-diol | BDBM5003148...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5?/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 3.20E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114230
BindingDB Entry DOI: 10.7270/Q24F1VSC
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50016703
PNG
(2-Hydroxymethyl-pyrrolidine-3,4-diol | BDBM5003148...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 4.74E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114499
BindingDB Entry DOI: 10.7270/Q2Z89HFH
More data for this
Ligand-Target Pair