Ligand
Ligand Name:   N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate
Ligand Type:   non-polymer
Ligand ID:   COVPDB1147 PubChem:   159652
Synonym(s):  
  •   chembl1161227
  • 2277-58-9
  • n4-ohdcmp
  • n(4)-hydroxy-dcmp
  • n-4-hydroxy-2'-deoxycytidylic acid
  • noh
  • chembl416922
  • dtxsid00945447
  • bdbm50027923
  • 5'-uridylic acid, 2'-deoxy-, (15alpha)-", "n4-hydroxy-2'-deoxycytidine-5'-mono-phosphate
  • q27463893
  • 3,4-dihydro-4-deamino-4-(hydroxyimino)-2'-deoxycytidine 5'-phosphoric acid
  • 1-(2-deoxy-5-o-phosphonopentofuranosyl)-4-(hydroxyamino)pyrimidin-2(1h)-one
  • phosphoric acid mono-[3-hydroxy-5-(4-hydroxyamino-2-oxo-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester
show 13 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1161227
Canonical SMILES:   ONc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)n1
Standard InChI:   InChI=1S/C9H14N3O8P/c13-5-3-8(20-6(5)4-19-21(16,17)18)12-2-1-7(11-15)10-9(12)14/h1-2,5-6,8,13,15H,3-4H2,(H,10,11,14)(H2,16,17,18)/t5-,6+,8+/m0/s1
Molecular Formula:   C9H14N3O8P Mol. Weight:   323.05185 logP:   -1.1979
HBD:   5 HBA:   9
#Rotatable Bonds:   5 TPSA:   163.37

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Thymidylate synthase P07607 (TYSY_MOUSE) Mus musculus (Mouse) 4EZ8 NOH
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