Found 43 hits with Last Name = 'hufnagel' and Initial = 'd' 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 |
|---|
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50597266
(CHEMBL5200272)Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCCOc5c4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.84,;-3.03,-2.61,;-3.03,-4.15,;-4.37,-4.92,;-5.7,-4.15,;-7.03,-4.92,;-8.37,-4.15,;-8.37,-2.61,;-9.7,-1.84,;-7.03,-1.84,;-6.47,-.41,;-4.93,-.41,;-4.16,.92,;-2.62,.92,;-1.85,2.26,;-.31,2.26,;.46,.92,;-.31,-.41,;-1.85,-.41,;2,.92,;2.77,2.26,;4.31,2.26,;5.08,.92,;6.62,.92,;7.39,2.26,;8.93,2.26,;9.7,3.59,;8.93,4.92,;7.39,4.92,;6.62,3.59,;5.08,3.59,;-4.37,-1.84,;-5.7,-2.61,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50597278
(CHEMBL5196889)Show SMILES [H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2SCC(=O)Nc2n1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:21.24,4.7,1.0,(-1.88,-1.31,;-1.49,.18,;-.73,1.51,;.81,1.5,;1.57,.17,;.8,-1.15,;-.72,-1.14,;3.11,.17,;3.88,1.5,;3.11,2.83,;5.42,1.5,;6.18,.16,;7.72,.15,;8.49,1.48,;10.02,1.47,;10.8,2.8,;10.04,4.14,;10.81,5.48,;8.49,4.15,;7.72,2.82,;6.18,2.82,;-3.01,.18,;-3.34,1.68,;-4.16,-.85,;-4.15,-2.39,;-2.82,-3.15,;-1.5,-2.37,;-2.81,-4.7,;-4.14,-5.47,;-5.47,-4.7,;-6.81,-5.48,;-8.14,-4.71,;-8.14,-3.16,;-9.48,-2.4,;-10.81,-3.17,;-6.81,-2.4,;-5.47,-3.16,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50597279
(CHEMBL4537408)Show SMILES O=c1ccc2ncc(=O)n3C(CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50597276
(CHEMBL5177294)Show SMILES [H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2OCC(=O)Nc2n1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:21.24,4.7,1.0,(-1.88,-1.31,;-1.49,.18,;-.73,1.51,;.81,1.5,;1.57,.17,;.8,-1.15,;-.72,-1.14,;3.11,.17,;3.88,1.5,;3.11,2.83,;5.42,1.5,;6.18,.16,;7.71,.15,;8.49,1.48,;10.02,1.47,;10.8,2.8,;10.04,4.14,;10.81,5.48,;8.49,4.15,;7.71,2.82,;6.18,2.82,;-3.01,.18,;-3.34,1.68,;-4.16,-.85,;-4.15,-2.39,;-2.82,-3.15,;-1.5,-2.37,;-2.81,-4.7,;-4.14,-5.47,;-5.47,-4.7,;-6.81,-5.48,;-8.14,-4.71,;-8.14,-3.16,;-9.48,-2.4,;-10.81,-3.17,;-6.81,-2.4,;-5.47,-3.16,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50597268
(CHEMBL5171625)Show SMILES [H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2OCCOc2c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:20.23,4.7,1.0,(-1.88,-.64,;-1.49,.84,;-.73,2.18,;.81,2.16,;1.57,.84,;.8,-.49,;-.72,-.48,;3.11,.83,;3.89,2.16,;3.12,3.5,;5.43,2.16,;6.19,.82,;7.72,.81,;8.5,2.15,;10.03,2.14,;10.81,3.47,;10.05,4.81,;8.5,4.82,;7.72,3.49,;6.19,3.49,;-3.01,.84,;-3.34,2.35,;-4.16,-.19,;-4.15,-1.73,;-2.82,-2.49,;-1.49,-1.71,;-2.81,-4.04,;-4.14,-4.81,;-5.48,-4.04,;-6.81,-4.82,;-8.15,-4.05,;-8.14,-2.5,;-9.48,-1.74,;-10.81,-2.51,;-6.81,-1.74,;-5.48,-2.5,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50597267
(CHEMBL5201666)Show SMILES Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCCOc5c4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.84,;-3.03,-2.61,;-3.03,-4.15,;-4.37,-4.92,;-5.7,-4.15,;-7.03,-4.92,;-8.37,-4.15,;-8.37,-2.61,;-9.7,-1.84,;-7.03,-1.84,;-6.47,-.41,;-4.93,-.41,;-4.16,.92,;-2.62,.92,;-1.85,2.26,;-.31,2.26,;.46,.92,;-.31,-.41,;-1.85,-.41,;2,.92,;2.77,2.26,;4.31,2.26,;5.08,.92,;6.62,.92,;7.39,2.26,;8.93,2.26,;9.7,3.59,;8.93,4.92,;7.39,4.92,;6.62,3.59,;5.08,3.59,;-4.37,-1.84,;-5.7,-2.61,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50597278
(CHEMBL5196889)Show SMILES [H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2SCC(=O)Nc2n1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:21.24,4.7,1.0,(-1.88,-1.31,;-1.49,.18,;-.73,1.51,;.81,1.5,;1.57,.17,;.8,-1.15,;-.72,-1.14,;3.11,.17,;3.88,1.5,;3.11,2.83,;5.42,1.5,;6.18,.16,;7.72,.15,;8.49,1.48,;10.02,1.47,;10.8,2.8,;10.04,4.14,;10.81,5.48,;8.49,4.15,;7.72,2.82,;6.18,2.82,;-3.01,.18,;-3.34,1.68,;-4.16,-.85,;-4.15,-2.39,;-2.82,-3.15,;-1.5,-2.37,;-2.81,-4.7,;-4.14,-5.47,;-5.47,-4.7,;-6.81,-5.48,;-8.14,-4.71,;-8.14,-3.16,;-9.48,-2.4,;-10.81,-3.17,;-6.81,-2.4,;-5.47,-3.16,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50597266
(CHEMBL5200272)Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCCOc5c4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.84,;-3.03,-2.61,;-3.03,-4.15,;-4.37,-4.92,;-5.7,-4.15,;-7.03,-4.92,;-8.37,-4.15,;-8.37,-2.61,;-9.7,-1.84,;-7.03,-1.84,;-6.47,-.41,;-4.93,-.41,;-4.16,.92,;-2.62,.92,;-1.85,2.26,;-.31,2.26,;.46,.92,;-.31,-.41,;-1.85,-.41,;2,.92,;2.77,2.26,;4.31,2.26,;5.08,.92,;6.62,.92,;7.39,2.26,;8.93,2.26,;9.7,3.59,;8.93,4.92,;7.39,4.92,;6.62,3.59,;5.08,3.59,;-4.37,-1.84,;-5.7,-2.61,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50597270
(CHEMBL5195074)Show SMILES Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5CCCOc5cn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50597267
(CHEMBL5201666)Show SMILES Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCCOc5c4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.84,;-3.03,-2.61,;-3.03,-4.15,;-4.37,-4.92,;-5.7,-4.15,;-7.03,-4.92,;-8.37,-4.15,;-8.37,-2.61,;-9.7,-1.84,;-7.03,-1.84,;-6.47,-.41,;-4.93,-.41,;-4.16,.92,;-2.62,.92,;-1.85,2.26,;-.31,2.26,;.46,.92,;-.31,-.41,;-1.85,-.41,;2,.92,;2.77,2.26,;4.31,2.26,;5.08,.92,;6.62,.92,;7.39,2.26,;8.93,2.26,;9.7,3.59,;8.93,4.92,;7.39,4.92,;6.62,3.59,;5.08,3.59,;-4.37,-1.84,;-5.7,-2.61,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50597276
(CHEMBL5177294)Show SMILES [H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2OCC(=O)Nc2n1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:21.24,4.7,1.0,(-1.88,-1.31,;-1.49,.18,;-.73,1.51,;.81,1.5,;1.57,.17,;.8,-1.15,;-.72,-1.14,;3.11,.17,;3.88,1.5,;3.11,2.83,;5.42,1.5,;6.18,.16,;7.71,.15,;8.49,1.48,;10.02,1.47,;10.8,2.8,;10.04,4.14,;10.81,5.48,;8.49,4.15,;7.71,2.82,;6.18,2.82,;-3.01,.18,;-3.34,1.68,;-4.16,-.85,;-4.15,-2.39,;-2.82,-3.15,;-1.5,-2.37,;-2.81,-4.7,;-4.14,-5.47,;-5.47,-4.7,;-6.81,-5.48,;-8.14,-4.71,;-8.14,-3.16,;-9.48,-2.4,;-10.81,-3.17,;-6.81,-2.4,;-5.47,-3.16,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50597275
(CHEMBL5197372)Show SMILES Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50597274
(CHEMBL5183589)Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50597277
(CHEMBL5208691)Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5SCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50597275
(CHEMBL5197372)Show SMILES Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50597269
(CHEMBL5190565)Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5CCCOc5cn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50597272
(CHEMBL5209188)Show SMILES Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5SCCOc5nn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50597268
(CHEMBL5171625)Show SMILES [H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2OCCOc2c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:20.23,4.7,1.0,(-1.88,-.64,;-1.49,.84,;-.73,2.18,;.81,2.16,;1.57,.84,;.8,-.49,;-.72,-.48,;3.11,.83,;3.89,2.16,;3.12,3.5,;5.43,2.16,;6.19,.82,;7.72,.81,;8.5,2.15,;10.03,2.14,;10.81,3.47,;10.05,4.81,;8.5,4.82,;7.72,3.49,;6.19,3.49,;-3.01,.84,;-3.34,2.35,;-4.16,-.19,;-4.15,-1.73,;-2.82,-2.49,;-1.49,-1.71,;-2.81,-4.04,;-4.14,-4.81,;-5.48,-4.04,;-6.81,-4.82,;-8.15,-4.05,;-8.14,-2.5,;-9.48,-1.74,;-10.81,-2.51,;-6.81,-1.74,;-5.48,-2.5,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50597271
(CHEMBL5204820)Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5SCCOc5nn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50597269
(CHEMBL5190565)Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5CCCOc5cn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50597277
(CHEMBL5208691)Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5SCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50597279
(CHEMBL4537408)Show SMILES O=c1ccc2ncc(=O)n3C(CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50597270
(CHEMBL5195074)Show SMILES Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5CCCOc5cn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50597273
(CHEMBL5197477)Show SMILES Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5OCCOc5nn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50597274
(CHEMBL5183589)Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50597272
(CHEMBL5209188)Show SMILES Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5SCCOc5nn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM21690
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50597273
(CHEMBL5197477)Show SMILES Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5OCCOc5nn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50597271
(CHEMBL5204820)Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5SCCOc5nn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM21690
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50597275
(CHEMBL5197372)Show SMILES Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50597267
(CHEMBL5201666)Show SMILES Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCCOc5c4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.84,;-3.03,-2.61,;-3.03,-4.15,;-4.37,-4.92,;-5.7,-4.15,;-7.03,-4.92,;-8.37,-4.15,;-8.37,-2.61,;-9.7,-1.84,;-7.03,-1.84,;-6.47,-.41,;-4.93,-.41,;-4.16,.92,;-2.62,.92,;-1.85,2.26,;-.31,2.26,;.46,.92,;-.31,-.41,;-1.85,-.41,;2,.92,;2.77,2.26,;4.31,2.26,;5.08,.92,;6.62,.92,;7.39,2.26,;8.93,2.26,;9.7,3.59,;8.93,4.92,;7.39,4.92,;6.62,3.59,;5.08,3.59,;-4.37,-1.84,;-5.7,-2.61,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50597270
(CHEMBL5195074)Show SMILES Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5CCCOc5cn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50597277
(CHEMBL5208691)Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5SCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50597274
(CHEMBL5183589)Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50597268
(CHEMBL5171625)Show SMILES [H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2OCCOc2c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:20.23,4.7,1.0,(-1.88,-.64,;-1.49,.84,;-.73,2.18,;.81,2.16,;1.57,.84,;.8,-.49,;-.72,-.48,;3.11,.83,;3.89,2.16,;3.12,3.5,;5.43,2.16,;6.19,.82,;7.72,.81,;8.5,2.15,;10.03,2.14,;10.81,3.47,;10.05,4.81,;8.5,4.82,;7.72,3.49,;6.19,3.49,;-3.01,.84,;-3.34,2.35,;-4.16,-.19,;-4.15,-1.73,;-2.82,-2.49,;-1.49,-1.71,;-2.81,-4.04,;-4.14,-4.81,;-5.48,-4.04,;-6.81,-4.82,;-8.15,-4.05,;-8.14,-2.5,;-9.48,-1.74,;-10.81,-2.51,;-6.81,-1.74,;-5.48,-2.5,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50597266
(CHEMBL5200272)Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCCOc5c4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.84,;-3.03,-2.61,;-3.03,-4.15,;-4.37,-4.92,;-5.7,-4.15,;-7.03,-4.92,;-8.37,-4.15,;-8.37,-2.61,;-9.7,-1.84,;-7.03,-1.84,;-6.47,-.41,;-4.93,-.41,;-4.16,.92,;-2.62,.92,;-1.85,2.26,;-.31,2.26,;.46,.92,;-.31,-.41,;-1.85,-.41,;2,.92,;2.77,2.26,;4.31,2.26,;5.08,.92,;6.62,.92,;7.39,2.26,;8.93,2.26,;9.7,3.59,;8.93,4.92,;7.39,4.92,;6.62,3.59,;5.08,3.59,;-4.37,-1.84,;-5.7,-2.61,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50597278
(CHEMBL5196889)Show SMILES [H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2SCC(=O)Nc2n1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:21.24,4.7,1.0,(-1.88,-1.31,;-1.49,.18,;-.73,1.51,;.81,1.5,;1.57,.17,;.8,-1.15,;-.72,-1.14,;3.11,.17,;3.88,1.5,;3.11,2.83,;5.42,1.5,;6.18,.16,;7.72,.15,;8.49,1.48,;10.02,1.47,;10.8,2.8,;10.04,4.14,;10.81,5.48,;8.49,4.15,;7.72,2.82,;6.18,2.82,;-3.01,.18,;-3.34,1.68,;-4.16,-.85,;-4.15,-2.39,;-2.82,-3.15,;-1.5,-2.37,;-2.81,-4.7,;-4.14,-5.47,;-5.47,-4.7,;-6.81,-5.48,;-8.14,-4.71,;-8.14,-3.16,;-9.48,-2.4,;-10.81,-3.17,;-6.81,-2.4,;-5.47,-3.16,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50597276
(CHEMBL5177294)Show SMILES [H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2OCC(=O)Nc2n1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:21.24,4.7,1.0,(-1.88,-1.31,;-1.49,.18,;-.73,1.51,;.81,1.5,;1.57,.17,;.8,-1.15,;-.72,-1.14,;3.11,.17,;3.88,1.5,;3.11,2.83,;5.42,1.5,;6.18,.16,;7.71,.15,;8.49,1.48,;10.02,1.47,;10.8,2.8,;10.04,4.14,;10.81,5.48,;8.49,4.15,;7.71,2.82,;6.18,2.82,;-3.01,.18,;-3.34,1.68,;-4.16,-.85,;-4.15,-2.39,;-2.82,-3.15,;-1.5,-2.37,;-2.81,-4.7,;-4.14,-5.47,;-5.47,-4.7,;-6.81,-5.48,;-8.14,-4.71,;-8.14,-3.16,;-9.48,-2.4,;-10.81,-3.17,;-6.81,-2.4,;-5.47,-3.16,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50597269
(CHEMBL5190565)Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5CCCOc5cn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50597271
(CHEMBL5204820)Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5SCCOc5nn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50597272
(CHEMBL5209188)Show SMILES Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5SCCOc5nn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50597273
(CHEMBL5197477)Show SMILES Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5OCCOc5nn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M |
More data for this
Ligand-Target Pair | |
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