Ligand
Ligand Name:   1-deoxy-d-xylulose-5-phosphate
Ligand Type:   non-polymer
Ligand ID:   COVPDB726 PubChem:   443201
Synonym(s):  
  •   1-deoxy-d-xylulose 5-phosphate
  • 190079-18-6
  • doxp
  • unii-i4c288b3tn
  • i4c288b3tn
  • chebi:16493
  • [(2r,3s)-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate
  • d-1-deoxyxylulose-5-p
  • deoxyxylulose-5-phosphate
  • (2r,3s)-2,3-dihydroxy-4-oxopentyl dihydrogen phosphate
  • 1-deoxy-d-threo-pentulose 5-phosphate
  • (((2r,3s)-2,3-dihydroxy-4-oxopentyl)oxy)phosphonic acid
  • {[(2r,3s)-2,3-dihydroxy-4-oxopentyl]oxy}phosphonic acid
  • 1-deoxy-5-o-phosphonopent-2-ulose
  • 1m5w
  • deoxyxylulose 5-phosphate
  • schembl158903
  • chembl1232414
  • dtxsid90940547
  • 1-deoxy-5-o-phosphono-d-xylulose
  • db02496
  • c11437
  • q2708025
  • d-threo-2-pentulose, 1-deoxy-, 5-(dihydrogen phosphate)
show 23 synonym(s)
DrugBank:   DB02496 ChEMBL:   CHEMBL1232414
Canonical SMILES:   CC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O
Standard InChI:   InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1
Molecular Formula:   C5H11O7P Mol. Weight:   214.02425 logP:   -1.5935
HBD:   4 HBA:   5
#Rotatable Bonds:   5 TPSA:   124.29

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Thiazole synthase P9WG73 (THIG_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 5Z9Y DXP
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