Covpdb









Ligand
Ligand Name:   CZ-46
Ligand Type:   saccharide
Ligand ID:   COVPDB218 PubChem:   54669590
Synonym(s):  
  •   (2r,3r,4s,5s)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (s)-phosphate
  • q27454455
  • inhibitor cz-46 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide
  • 46z
show 3 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O[C@H]1O[C@H](OP(O)(=O)OCCc2ccccc2)[C@@H](O)[C@@H]1F
Standard InChI:   InChI=1S/C12H16FO7P/c13-9-10(14)12(19-11(9)15)20-21(16,17)18-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-15H,6-7H2,(H,16,17)/t9-,10-,11-,12+/m0/s1
Molecular Formula:   C12H16FO7P Mol. Weight:   322.06177 logP:   0.7364
HBD:   3 HBA:   6
#Rotatable Bonds:   6 TPSA:   105.45

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 P28907 (CD38_HUMAN) Homo sapiens (Human) 3ROQ 46Z
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