Covpdb









Ligand
Ligand Name:   6-CL-IMP
Ligand Type:   non-polymer
Ligand ID:   COVPDB648 PubChem:   188321
Synonym(s):  
  •   6-chloroinosine monophosphate
  • 6-cl-purine ribotide
  • chembl1683023
  • 6-chloropurine riboside 5'-phosphate
  • [(2r,3s,4r,5r)-5-(6-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • 6-chloropurine riboside 5'-monophosphate
  • 6-chloropurine ribotide
  • schembl622623
  • bdbm50222697
  • zinc13526959
  • a8843
  • 6-chloropurine 9-beta-d-ribofuranosyl 5'-monophosphate
  • 6-chloro-9-(5-o-phosphono-beta-d-ribofuranosyl)-9h-purine
show 12 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1683023
Canonical SMILES:   O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Cl)ncnc12
Standard InChI:   InChI=1S/C10H12ClN4O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Molecular Formula:   C10H12ClN4O7P Mol. Weight:   366.0132 logP:   -0.7918
HBD:   4 HBA:   9
#Rotatable Bonds:   4 TPSA:   160.05

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Inosine-5'-monophosphate dehydrogenase 1 P20839 (IMDH1_HUMAN) Homo sapiens (Human) 1JCN CPR
-
-
SHOW