Ligand

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Ligand Name:   7-METHYL-GUANOSINE-5'-TRIPHOSPHATE
HET ID:   MGP PubChem:   135419182
DrugBank:   DB02716 ChEMBL:   CHEMBL1234303
Canonical SMILES:   O[C@@H]1[C@@H](CO[P@](=O)(O[P@](=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1c[n+](c2c1nc(N)[nH]c2=O)C
Standard InChI:   InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p+1/t4-,6-,7-,10-/m1/s1
Molecular Formula:   C11H19N5O14P3+ Mol. Weight:   538.21497 Heavy Atoms:   33
Charge:   1 Is Chiral:   True logP:   -2.325
HBD:   8 HBA:   17 TPSA:   319.52
#Bonds:   40 #Rotatable Bonds:   8 Shape Complexity:   0.54545456
Stereocomplexity:   0.54545456
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Eukaryotic translation initiation factor 4E P63073 (IF4E_MOUSE) Mus musculus 1L8B Kd : 10.0 nM, Kd : 28.0 nM, Kd : 5720.0 nM, Kd : 2360.0 nM BindingDB SHOW
Eukaryotic translation initiation factor 4E P63073 (IF4E_MOUSE) Mus musculus 1L8B Kd : 140.0 nM Binding MOAD SHOW
Eukaryotic translation initiation factor 4E P06730 (IF4E_HUMAN) Homo sapiens 1IPC Kd : 10.0 nM, Kd : 28.0 nM, Kd : 2360.0 nM, Kd : 5720.0 nM BindingDB SHOW
Eukaryotic translation initiation factor 4E P63073 (IF4E_MOUSE) Mus musculus 5BXV Kd : 10.0 nM, Kd : 28.0 nM, Kd : 5720.0 nM, Kd : 2360.0 nM BindingDB SHOW
Eukaryotic translation initiation factor 4E P06730 (IF4E_HUMAN) Homo sapiens 3AM7 Kd : 10.0 nM, Kd : 28.0 nM, Kd : 2360.0 nM, IC50 : 5720.0 nM BindingDB SHOW
Eukaryotic translation initiation factor 4E P06730 (IF4E_HUMAN) Homo sapiens 5T46 Kd : 10.0 nM, Kd : 28.0 nM, Kd : 5720.0 nM, Kd : 2360.0 nM BindingDB SHOW
Putative Eukaryotic translation initiation factor 4E type 5 A0A2V2VRR6 (A0A2V2VRR6_TRYCR) Trypanosoma cruzi 6O80 Kd : 21000.0 nM Binding MOAD SHOW
Eukaryotic translation initiation factor 4E P06730 (IF4E_HUMAN) Homo sapiens 4TPW Ki : 28.0 nM, IC50 : 2360.0 nM, Kd : 10.0 nM, IC50 : 5720.0 nM BindingDB SHOW
Replicase F1BV96 (F1BV96_9VIRU) SFTS virus AH12 6XYA
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SHOW
Eukaryotic translation initiation factor 4E1 P48598 (IF4E_DROME) Drosophila melanogaster 5T48
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SHOW
Eukaryotic translation initiation factor 4E P63073 (IF4E_MOUSE) Mus musculus 6GKJ
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SHOW
Eukaryotic translation initiation factor 4E P07260 (IF4E_YEAST) Saccharomyces cerevisiae 6FC1
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SHOW
Eukaryotic translation initiation factor 4E-3 O61955 (IF4E3_CAEEL) Caenorhabditis elegans 5ABX
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SHOW