Found 24 hits with Last Name = 'vincent' and Initial = 'sp' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50358044
(CHEMBL1917940)Show InChI InChI=1S/C19H13ClN2O2/c1-11-7-17-18(22-21-11)16-9-14(5-6-15(16)19(17)23)24-10-12-3-2-4-13(20)8-12/h2-9H,10H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Facult£s Universitaires Notre-Dame de Paix
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells by Lineweaver-Burk plot analysis |
Eur J Med Chem 46: 6104-11 (2011)
Article DOI: 10.1016/j.ejmech.2011.09.042
BindingDB Entry DOI: 10.7270/Q2BC3ZXB |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50358044
(CHEMBL1917940)Show InChI InChI=1S/C19H13ClN2O2/c1-11-7-17-18(22-21-11)16-9-14(5-6-15(16)19(17)23)24-10-12-3-2-4-13(20)8-12/h2-9H,10H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Facult£s Universitaires Notre-Dame de Paix
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 1 hr by Cheng-Prusoff equation analysis |
Eur J Med Chem 46: 6104-11 (2011)
Article DOI: 10.1016/j.ejmech.2011.09.042
BindingDB Entry DOI: 10.7270/Q2BC3ZXB |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50121688
(3-Methyl-8-(4,4,4-trifluoro-butoxy)-indeno[1,2-c]p...)Show InChI InChI=1S/C16H13F3N2O2/c1-9-7-13-14(21-20-9)12-8-10(3-4-11(12)15(13)22)23-6-2-5-16(17,18)19/h3-4,7-8H,2,5-6H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Facult£s Universitaires Notre-Dame de Paix
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 1 hr by Cheng-Prusoff equation analysis |
Eur J Med Chem 46: 6104-11 (2011)
Article DOI: 10.1016/j.ejmech.2011.09.042
BindingDB Entry DOI: 10.7270/Q2BC3ZXB |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50358045
(CHEMBL1914652)Show InChI InChI=1S/C20H16N2O2/c1-12-4-3-5-14(8-12)11-24-15-6-7-16-17(10-15)19-18(20(16)23)9-13(2)21-22-19/h3-10H,11H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Facult£s Universitaires Notre-Dame de Paix
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 1 hr by Cheng-Prusoff equation analysis |
Eur J Med Chem 46: 6104-11 (2011)
Article DOI: 10.1016/j.ejmech.2011.09.042
BindingDB Entry DOI: 10.7270/Q2BC3ZXB |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Klebsiella pneumoniae) | BDBM50592575
(CHEMBL5185885)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)\C=C\c1ccccc1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.31E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Klebsiella pneumoniae) | BDBM50133496
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | 6.90E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Klebsiella pneumoniae) | BDBM50592576
(CHEMBL5207362)Show SMILES OC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)\C=C\c1ccccc1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.56E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Mycobacterium tuberculosis H37Rv) | BDBM50592578
(CHEMBL5205229)Show SMILES OC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)\C=C\c1ccccc1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.05E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Klebsiella pneumoniae) | BDBM50592578
(CHEMBL5205229)Show SMILES OC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)\C=C\c1ccccc1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5.80E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Klebsiella pneumoniae) | BDBM50592579
(CHEMBL5179369)Show SMILES OC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)\C=C\c1ccccc1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Klebsiella pneumoniae) | BDBM50118239
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | PDB
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| Article
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| n/a | n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Mycobacterium tuberculosis H37Rv) | BDBM50272460
(CHEMBL3276007)Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C18H17NO3/c20-17(12-11-14-7-3-1-4-8-14)19-16(18(21)22)13-15-9-5-2-6-10-15/h1-12,16H,13H2,(H,19,20)(H,21,22)/b12-11+/t16-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Mycobacterium tuberculosis H37Rv) | BDBM50592575
(CHEMBL5185885)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)\C=C\c1ccccc1 |r| | PDB
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.01E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Mycobacterium tuberculosis H37Rv) | BDBM50133496
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 | PDB
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| Article
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| n/a | n/a | n/a | 6.53E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Mycobacterium tuberculosis H37Rv) | BDBM50592576
(CHEMBL5207362)Show SMILES OC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)\C=C\c1ccccc1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 9.48E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Mycobacterium tuberculosis H37Rv) | BDBM50592577
(CHEMBL5197452)Show SMILES OC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)\C=C\c1ccccc1 |r| | PDB
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.58E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Mycobacterium tuberculosis H37Rv) | BDBM50592578
(CHEMBL5205229)Show SMILES OC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)\C=C\c1ccccc1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.30E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Mycobacterium tuberculosis H37Rv) | BDBM50592579
(CHEMBL5179369)Show SMILES OC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)\C=C\c1ccccc1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.97E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Mycobacterium tuberculosis H37Rv) | BDBM50118239
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
UDP-galactopyranose mutase
(Klebsiella pneumoniae) | BDBM50272460
(CHEMBL3276007)Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C18H17NO3/c20-17(12-11-14-7-3-1-4-8-14)19-16(18(21)22)13-15-9-5-2-6-10-15/h1-12,16H,13H2,(H,19,20)(H,21,22)/b12-11+/t16-/m0/s1 | PDB
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| n/a | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50580212
(CHEMBL5083990)Show SMILES C[C@@H]1O[C@@H](OCCOCCn2cc(COCC(COCc3cn(CCOCCO[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)nn3)N=[N+]=[N-])nn2)[C@@H](O)[C@H](O)[C@@H]1O.OC[C@H]1O[C@@H](OCc2cn(CCCOc3cc4Cc5cc(OCCn6cc(CO[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)nn6)c(Cc6cc(OCCn7cc(CO[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)nn7)c(Cc7cc(OCCn8cc(CO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)nn8)c(Cc8cc(OCCn9cc(CO[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)nn9)c(Cc3cc4OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc8OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc7OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc6OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc5OCCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)nn2)[C@H](O)[C@@H](O)[C@H]1O |r| | PDB
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KEGG
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B.MOAD
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 474 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to recombinant Pseudomonas aeruginosa lecB expressed in Escherichia coli assessed as dissociation constant by isothermal titration c... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01241
BindingDB Entry DOI: 10.7270/Q21N850K |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50580211
(CHEMBL5081045)Show SMILES C[C@@H]1O[C@@H](OCCOCCn2cc(COCC(COCc3cn(CCOCCO[C@@H]4O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)nn3)N3NNC(CN(Cc4cn(nn4)C(COCc4cn(CCOCCO[C@@H]5O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)nn4)COCc4cn(CCOCCO[C@@H]5O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)nn4)C(=O)c4ccc(cc4)-c4cn(CCCCCCCCCCN=[N+]=[N-])nn4)=C3)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |r,c:163| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to recombinant Pseudomonas aeruginosa lecB expressed in Escherichia coli assessed as dissociation constant by isothermal titration c... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01241
BindingDB Entry DOI: 10.7270/Q21N850K |
More data for this
Ligand-Target Pair | |
Fucose-binding lectin PA-IIL
(Pseudomonas aeruginosa) | BDBM50505617
(CHEMBL1234282)Show SMILES CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1 | PDB
MMDB
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to recombinant Pseudomonas aeruginosa lecB expressed in Escherichia coli assessed as dissociation constant by isothermal titration c... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01241
BindingDB Entry DOI: 10.7270/Q21N850K |
More data for this
Ligand-Target Pair | |
UDP-galactopyranose mutase
(Klebsiella pneumoniae) | BDBM50592577
(CHEMBL5197452)Show SMILES OC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)\C=C\c1ccccc1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116896
BindingDB Entry DOI: 10.7270/Q2BR8X5R |
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