Ligand
Ligand Name:   DIISOPROPYL PHOSPHATE
Ligand Type:   non-polymer
Ligand ID:   COVPDB690 PubChem:   74162
Synonym(s):  
  •   diisopropylphosphate
  • diisopropyl hydrogen phosphate
  • 1611-31-0
  • dipropan-2-yl hydrogen phosphate
  • phosphoric acid, bis(1-methylethyl) ester
  • di-isopropylphosphoric acid
  • einecs 216-552-2
  • dispa
  • ai3-16971
  • diisopropylhydrogenphosphate
  • schembl268599
  • chebi:16785
  • dtxsid40167060
  • bis(propan-2-yloxy)phosphinic acid
  • zinc1529594
  • mono-di-iso-propyl acid o-phosphate
  • geo-01126
  • mfcd00040486
  • akos006273208
  • db-002698
  • c03113
  • q5276482
show 21 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)OP(O)(=O)OC(C)C
Standard InChI:   InChI=1S/C6H15O4P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3,(H,7,8)
Molecular Formula:   C6H15O4P Mol. Weight:   182.0708 logP:   1.9368
HBD:   1 HBA:   3
#Rotatable Bonds:   4 TPSA:   55.76

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Esterase EstB Q9KX40 (ESTB_BURGA) Burkholderia gladioli (Pseudomonas marginata) (Phytomonas marginata) 1CI9 DFP
-
-
SHOW
Cutinase 1 P00590 (CUTI1_FUSSO) Fusarium vanettenii (Neocosmospora pisi) 1XZK DFP
-
-
SHOW
Platelet-activating factor acetylhydrolase Q13093 (PAFA_HUMAN) Homo sapiens (Human) 3F9C DFP
-
-
SHOW
Capsid scaffolding protein Q83417 (SCAF_SUHVK) Suid herpesvirus 1 (strain Kaplan) (SuHV-1) (Pseudorabies virus (strain Kaplan)) 4V08 DFP
-
-
SHOW
Rhomboid protease GlpG P09391 (GLPG_ECOLI) Escherichia coli (strain K12) 3TXT DFP
-
-
SHOW
Subtilisin BPN' P00782 (SUBT_BACAM) Bacillus amyloliquefaciens (Bacillus velezensis) 1DUI DFP
-
-
SHOW
Subtilisin BPN' P00782 (SUBT_BACAM) Bacillus amyloliquefaciens (Bacillus velezensis) 1SUE DFP
-
-
SHOW
Capsid scaffolding protein Q69527 (Q69527_HHV2) Human herpesvirus 2 (HHV-2) (Human herpes simplex virus 2) 1AT3 DFP
-
-
SHOW
Cationic trypsin P00760 (TRY1_BOVIN) Bos taurus (Bovine) 2TGD DFP
-
-
SHOW
Complement factor D P00746 (CFAD_HUMAN) Homo sapiens (Human) 1DFP DFP
-
-
SHOW
Catecholate siderophore esterase IroE Q6KD95 (Q6KD95_ECOLX) Escherichia coli 2GZS DFP
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-
SHOW