Details of the Drug

General Information of Drug (ID: DM82Q7F)

Drug Name
A3P5PS
Synonyms 3'-phosphoadenosine-5'-phosphosulfate; adenosine-3'-phosphate-5' -phosphosulfate; phosphoadenosine phosphosulfate (PAPS)
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C10H15N5O13P2S
Canonical SMILES
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N
InChI
1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1
InChIKey
GACDQMDRPRGCTN-KQYNXXCUSA-N
Cross-matching ID
PubChem CID
10214
ChEBI ID
CHEBI:17980
CAS Number
482-67-7
TTD ID
D0E2UQ

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1719).