Ligand

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Ligand Name:   6-HYDROXYMETHYLPTERIN-DIPHOSPHATE
HET ID:   HH2 PubChem:   135440058
DrugBank:   DB04047 ChEMBL:   CHEMBL1233314
Canonical SMILES:   Nc1nc2ncc(nc2c(=O)[nH]1)CO[P@@](=O)(OP(=O)(O)O)O
Standard InChI:   InChI=1S/C7H9N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1H,2H2,(H,17,18)(H2,14,15,16)(H3,8,9,11,12,13)
Molecular Formula:   C7H9N5O8P2 Mol. Weight:   353.1226 Heavy Atoms:   22
Charge:   0 Is Chiral:   False logP:   -0.3972
HBD:   5 HBA:   12 TPSA:   230.46
#Bonds:   24 #Rotatable Bonds:   5 Shape Complexity:   0.14285715
Stereocomplexity:   0.14285715
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 1RAO
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