Found 64 hits with Last Name = 'shilkar' 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 |
|---|
Genome polyprotein
(Dengue virus 2) | BDBM50588190
(CHEMBL5170076)Show SMILES NCCCC[C@@H]1NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588190
(CHEMBL5170076)Show SMILES NCCCC[C@@H]1NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50513213
(CHEMBL3344303)Show InChI InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50513213
(CHEMBL3344303)Show InChI InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588187
(CHEMBL5194503)Show SMILES C[C@H](NCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588187
(CHEMBL5194503)Show SMILES C[C@H](NCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50513887
(CHEMBL4458555)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C33H65N15O9/c1-18(50)25(48-29(55)21(43-19(2)51)12-8-16-42-33(39)40)31(57)47-24(17-49)30(56)46-23(10-4-6-14-35)28(54)45-22(9-3-5-13-34)27(53)44-20(26(36)52)11-7-15-41-32(37)38/h18,20-25,49-50H,3-17,34-35H2,1-2H3,(H2,36,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,47,57)(H,48,55)(H4,37,38,41)(H4,39,40,42)/t18-,20+,21+,22+,23+,24+,25+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50513887
(CHEMBL4458555)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C33H65N15O9/c1-18(50)25(48-29(55)21(43-19(2)51)12-8-16-42-33(39)40)31(57)47-24(17-49)30(56)46-23(10-4-6-14-35)28(54)45-22(9-3-5-13-34)27(53)44-20(26(36)52)11-7-15-41-32(37)38/h18,20-25,49-50H,3-17,34-35H2,1-2H3,(H2,36,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,47,57)(H,48,55)(H4,37,38,41)(H4,39,40,42)/t18-,20+,21+,22+,23+,24+,25+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588189
(CHEMBL5206550)Show SMILES Oc1ccc(N=Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c2ccccc12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588189
(CHEMBL5206550)Show SMILES Oc1ccc(N=Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c2ccccc12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50026784
(CHEMBL2440339)Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C25H42N8O4/c1-2-3-12-18(21(27)34)31-23(36)19(13-7-8-15-26)33-24(37)20(14-9-16-30-25(28)29)32-22(35)17-10-5-4-6-11-17/h4-6,10-11,18-20H,2-3,7-9,12-16,26H2,1H3,(H2,27,34)(H,31,36)(H,32,35)(H,33,37)(H4,28,29,30)/t18-,19-,20-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50026784
(CHEMBL2440339)Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C25H42N8O4/c1-2-3-12-18(21(27)34)31-23(36)19(13-7-8-15-26)33-24(37)20(14-9-16-30-25(28)29)32-22(35)17-10-5-4-6-11-17/h4-6,10-11,18-20H,2-3,7-9,12-16,26H2,1H3,(H2,27,34)(H,31,36)(H,32,35)(H,33,37)(H4,28,29,30)/t18-,19-,20-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588188
(CHEMBL5200710) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588188
(CHEMBL5200710) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM4355
((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide | C...)Show InChI InChI=1S/C10H8N2O2/c11-6-8(10(12)14)5-7-1-3-9(13)4-2-7/h1-5,13H,(H2,12,14)/b8-5+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM4355
((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide | C...)Show InChI InChI=1S/C10H8N2O2/c11-6-8(10(12)14)5-7-1-3-9(13)4-2-7/h1-5,13H,(H2,12,14)/b8-5+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588191
(ALEXIDINE HYDROCHLORIDE | Alexidine dihydrochlorid...)Show SMILES Cl.CCCCC(CC)CN=C(N)N=C(N)NCCCCCCNC(N)=NC(N)=NCC(CC)CCCC | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588191
(ALEXIDINE HYDROCHLORIDE | Alexidine dihydrochlorid...)Show SMILES Cl.CCCCC(CC)CN=C(N)N=C(N)NCCCCCCNC(N)=NC(N)=NCC(CC)CCCC | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588186
(CHEMBL403278 | SN-20440) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588186
(CHEMBL403278 | SN-20440) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588192
(Revolution | SELAMECTIN | Selamectin | UK-124,114 ...)Show SMILES [H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@H](O5)C5CCCCC5)O4)OC(=O)[C@]([H])(C=C(C)\C1=N\O)[C@@]23O |c:4,t:6,24,55| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 6.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588192
(Revolution | SELAMECTIN | Selamectin | UK-124,114 ...)Show SMILES [H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@H](O5)C5CCCCC5)O4)OC(=O)[C@]([H])(C=C(C)\C1=N\O)[C@@]23O |c:4,t:6,24,55| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 6.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50409816
(ABAMECTIN)Show SMILES CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46| Show InChI InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 7.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50409816
(ABAMECTIN)Show SMILES CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46| Show InChI InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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KEGG
PC cid
PC sid
PDB
UniChem
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| Article
PubMed
| 7.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588195
(CHEMBL5188858)Show SMILES Cc1cc(O)c(cc1Cc1cc(c(O)c(Cc2cc(c(O)cc2C)S(O)(=O)=O)c1C)S(O)(=O)=O)S(O)(=O)=O | PDB
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UniProtKB/SwissProt
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UniChem
| Article
PubMed
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588184
(CHEMBL5206054)Show SMILES [O-][N+](=O)c1ccc(\C=C2\CN(CC(=O)c3ccc(F)cc3)C\C(=C\c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588185
(CHEMBL5205657)Show SMILES COc1ccc(cc1)C(=O)CN1C\C(=C\c2ccc(cc2)[N+]([O-])=O)C(=O)\C(C1)=C/c1ccc(cc1)[N+]([O-])=O | PDB
MMDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50185449
((-)-panduratin A | CHEMBL379110 | panduratin A)Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6](=O)-[#6@@H]-2-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#6])=[#6]-[#6]-[#6@H]-2-c2ccccc2)c(-[#8])c1 |r,c:17| Show InChI InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1 | PDB
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM60986
(MLS001335996 | SMR000857330 | TANNIC ACID | cid_16...)Show SMILES Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 Show InChI InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1 | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM60986
(MLS001335996 | SMR000857330 | TANNIC ACID | cid_16...)Show SMILES Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 Show InChI InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1 | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM60986
(MLS001335996 | SMR000857330 | TANNIC ACID | cid_16...)Show SMILES Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 Show InChI InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1 | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM60986
(MLS001335996 | SMR000857330 | TANNIC ACID | cid_16...)Show SMILES Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 Show InChI InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1 | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588181
(CHEMBL5194226) | PDB
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UniProtKB/SwissProt
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| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588175
(CHEMBL5177343)Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccc(c2)-c2ccccc2)cc1N | PDB
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UniProtKB/SwissProt
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| PC cid
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50108877
((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3 | PDB
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| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50108877
((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3 | PDB
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| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50108877
((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3 | PDB
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| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50108877
((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3 | PDB
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| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50509461
(CHEMBL4440832)Show SMILES Oc1ccc2cc(Oc3ccccc3C(=O)Nc3nc4cc(O)c(O)cc4s3)ccc2c1 Show InChI InChI=1S/C24H16N2O5S/c27-15-7-5-14-10-16(8-6-13(14)9-15)31-21-4-2-1-3-17(21)23(30)26-24-25-18-11-19(28)20(29)12-22(18)32-24/h1-12,27-29H,(H,25,26,30) | PDB
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| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588176
(CHEMBL5172831)Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(Oc2ccc(cc2)-c2ccccc2)cc1N | PDB
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| 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: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50482
((5Z)-5-(3-bromo-4,5-dihydroxy-benzylidene)-2-(p-to...)Show SMILES Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1cc(O)c(O)c(Br)c1 |t:8| Show InChI InChI=1S/C17H12BrNO3S/c1-9-2-4-11(5-3-9)17-19-16(22)14(23-17)8-10-6-12(18)15(21)13(20)7-10/h2-8,20-21H,1H3/b14-8- | PDB
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| n/a | n/a | 2.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50482
((5Z)-5-(3-bromo-4,5-dihydroxy-benzylidene)-2-(p-to...)Show SMILES Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1cc(O)c(O)c(Br)c1 |t:8| Show InChI InChI=1S/C17H12BrNO3S/c1-9-2-4-11(5-3-9)17-19-16(22)14(23-17)8-10-6-12(18)15(21)13(20)7-10/h2-8,20-21H,1H3/b14-8- | PDB
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| n/a | n/a | 2.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50482
((5Z)-5-(3-bromo-4,5-dihydroxy-benzylidene)-2-(p-to...)Show SMILES Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1cc(O)c(O)c(Br)c1 |t:8| Show InChI InChI=1S/C17H12BrNO3S/c1-9-2-4-11(5-3-9)17-19-16(22)14(23-17)8-10-6-12(18)15(21)13(20)7-10/h2-8,20-21H,1H3/b14-8- | PDB
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| n/a | n/a | 2.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50482
((5Z)-5-(3-bromo-4,5-dihydroxy-benzylidene)-2-(p-to...)Show SMILES Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1cc(O)c(O)c(Br)c1 |t:8| Show InChI InChI=1S/C17H12BrNO3S/c1-9-2-4-11(5-3-9)17-19-16(22)14(23-17)8-10-6-12(18)15(21)13(20)7-10/h2-8,20-21H,1H3/b14-8- | PDB
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UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50525246
(CHEMBL4522006)Show SMILES Oc1cc2nc(NC(=O)c3ccccc3Sc3ccc(cc3)C(F)(F)F)sc2cc1O Show InChI InChI=1S/C21H13F3N2O3S2/c22-21(23,24)11-5-7-12(8-6-11)30-17-4-2-1-3-13(17)19(29)26-20-25-14-9-15(27)16(28)10-18(14)31-20/h1-10,27-28H,(H,25,26,29) | PDB
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UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50509461
(CHEMBL4440832)Show SMILES Oc1ccc2cc(Oc3ccccc3C(=O)Nc3nc4cc(O)c(O)cc4s3)ccc2c1 Show InChI InChI=1S/C24H16N2O5S/c27-15-7-5-14-10-16(8-6-13(14)9-15)31-21-4-2-1-3-17(21)23(30)26-24-25-18-11-19(28)20(29)12-22(18)32-24/h1-12,27-29H,(H,25,26,30) | PDB
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UniProtKB/SwissProt
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| PC cid
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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: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588177
(CHEMBL5192980)Show SMILES [O-][N+](=O)c1ccc(Sc2ccccc2C(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1 | PDB
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UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50588180
(CHEMBL5190426)Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C(\C#N)c2nc3cc(Cl)ccc3[nH]2)s1 | PDB
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UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 5.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50525246
(CHEMBL4522006)Show SMILES Oc1cc2nc(NC(=O)c3ccccc3Sc3ccc(cc3)C(F)(F)F)sc2cc1O Show InChI InChI=1S/C21H13F3N2O3S2/c22-21(23,24)11-5-7-12(8-6-11)30-17-4-2-1-3-13(17)19(29)26-20-25-14-9-15(27)16(28)10-18(14)31-20/h1-10,27-28H,(H,25,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus 2) | BDBM50525248
(CHEMBL4450411)Show SMILES OC(=O)c1cc2sc(NC(=O)c3ccccc3Sc3ccc(cc3)C(F)(F)F)nc2cc1O Show InChI InChI=1S/C22H13F3N2O4S2/c23-22(24,25)11-5-7-12(8-6-11)32-17-4-2-1-3-13(17)19(29)27-21-26-15-10-16(28)14(20(30)31)9-18(15)33-21/h1-10,28H,(H,30,31)(H,26,27,29) | PDB
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UniProtKB/SwissProt
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| PC cid
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UniChem
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PubMed
| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116415
BindingDB Entry DOI: 10.7270/Q2TB1BV7 |
More data for this
Ligand-Target Pair | |
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