Ligand

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Ligand Name:   6-HYDROXYMETHYLPTERIN
HET ID:   HHR PubChem:   135415975
DrugBank:   DB03197 ChEMBL:   CHEMBL101541
Canonical SMILES:   OCc1cnc2c(n1)c(=O)[nH]c(n2)N
Standard InChI:   InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)
Molecular Formula:   C7H7N5O2 Mol. Weight:   193.16278 Heavy Atoms:   14
Charge:   0 Is Chiral:   False logP:   -0.6312
HBD:   3 HBA:   6 TPSA:   117.78
#Bonds:   16 #Rotatable Bonds:   1 Shape Complexity:   0.14285715
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 1TMM Kd : 1100.0 nM Binding MOAD SHOW
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase P26281 (HPPK_ECOLI) Escherichia coli 3IP0
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