Ligand

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Ligand Name:   7-BENZYL GUANINE MONOPHOSPHATE
HET ID:   MGQ PubChem:   135566346, 13872081
DrugBank:   - ChEMBL:   CHEMBL1234304
Canonical SMILES:   O[C@@H]1[C@H](O)[C@H](O[C@H]1n1c[n+](c2c1nc(N)[nH]c2=O)Cc1ccccc1)COP(=O)(O)O
Standard InChI:   InChI=1S/C17H20N5O8P/c18-17-19-14-11(15(25)20-17)21(6-9-4-2-1-3-5-9)8-22(14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h1-5,8,10,12-13,16,23-24H,6-7H2,(H4-,18,19,20,25,26,27,28)/p+1/t10-,12-,13-,16-/m1/s1
Molecular Formula:   C17H21N5O8P+ Mol. Weight:   454.3511 Heavy Atoms:   31
Charge:   1 Is Chiral:   True logP:   -1.0477
HBD:   6 HBA:   11 TPSA:   206.84
#Bonds:   39 #Rotatable Bonds:   6 Shape Complexity:   0.3529412
Stereocomplexity:   0.23529412
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Eukaryotic translation initiation factor 4E P06730 (IF4E_HUMAN) Homo sapiens 2V8X Kd : 790.0 nM, Kd : 1320.0 nM, Kd : 15500.0 nM, Kd : 26800.0 nM BindingDB SHOW
Eukaryotic translation initiation factor 4E P06730 (IF4E_HUMAN) Homo sapiens 2V8X Kd : 6950.0 nM Binding MOAD SHOW