Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0E2UQ
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| Former ID |
DIB018717
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| Drug Name |
A3P5PS
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| Synonyms |
3'-phosphoadenosine-5'-phosphosulfate; adenosine-3'-phosphate-5' -phosphosulfate; phosphoadenosine phosphosulfate (PAPS)
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C10H15N5O13P2S
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| 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
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| 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
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| InChIKey |
GACDQMDRPRGCTN-KQYNXXCUSA-N
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| CAS Number |
CAS 482-67-7
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| PubChem Compound ID | ||||
| PubChem Substance ID |
3355, 822217, 826406, 830347, 841397, 7890024, 8145196, 8157363, 14860195, 24697966, 29228737, 46391588, 49865163, 50809138, 53788832, 57244442, 57326043, 57578135, 57578137, 57578140, 85256664, 103146101, 104322682, 117634280, 126523829, 127924479, 134975004, 135651421, 137239995, 152138392, 160778866, 162219691, 179292936, 226589599, 252337263
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| ChEBI ID |
CHEBI:17980
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| References | Top | |||
|---|---|---|---|---|
| REF 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). | |||
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