Ligand

Download

Ligand Name:   2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE
HET ID:   PH2 PubChem:   135398568
DrugBank:   DB02119 ChEMBL:   CHEMBL1233322
Canonical SMILES:   Nc1nc2NCC(=Nc2c(=O)[nH]1)CO
Standard InChI:   InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)
Molecular Formula:   C7H9N5O2 Mol. Weight:   195.17867 Heavy Atoms:   14
Charge:   0 Is Chiral:   False logP:   -1.0028
HBD:   4 HBA:   6 TPSA:   116.39
#Bonds:   16 #Rotatable Bonds:   1 Shape Complexity:   0.2857143
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase P26281 (HPPK_ECOLI) Escherichia coli 1Q0N
-
-
SHOW
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase None () Francisella tularensis subsp. holarctica LVS 3MCO
-
-
SHOW