සැකිල්ල:Drugbox/testcases/navbox
- URl change 2021-01-27
- Infobox drug/formatDrugBank (/sbox edit diff /test | Source e Talk hist links # /subpages /doc)
- DrugBank (/sbox edit diff /test | Source e Talk hist links # /subpages /doc)
- Dec 2020: talk [1]
Aspirin R16CO5Y76E
- {{Infobox drug/formatUNII}} (edit talk history links # /subpages /doc /doc edit /sbox /sbox diff /test)
- R16CO5Y76E
- sandbox
- R16CO5Y76E
- Oct 2020, Template_talk:Infobox_drug#PDB
Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
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Valganciclovir | |
CAS Number | |
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PubChem CID | |
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IUPHAR/BPS | |
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DrugBank | |
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ChemSpider | |
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UNII | |
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KEGG | |
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ChEMBL | |
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NIAID ChemDB | |
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PDB ligand | |
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|
3D model (JSmol) | |
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O=C(OCC(OCn1c2N\C(=N/C(=O)c2nc1)N)CO)[C@@H](N)C(C)C
|
InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1 Key:WPVFJKSGQUFQAP-GKAPJAKFSA-N
| |
Valganciclovir | |
CAS Number | |
---|
PubChem CID | |
---|
IUPHAR/BPS | |
---|
DrugBank | |
---|
ChemSpider | |
---|
UNII | |
---|
KEGG | |
---|
ChEMBL | |
---|
NIAID ChemDB | |
---|
PDB ligand | |
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|
3D model (JSmol) | |
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O=C(OCC(OCn1c2N\C(=N/C(=O)c2nc1)N)CO)[C@@H](N)C(C)C
|
InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1 Key:WPVFJKSGQUFQAP-GKAPJAKFSA-N
| |
id's indexed <blank>,2 with index 0, 2
[සංස්කරණය]
විරේචනය
Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
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ID's with index2_label|
ATC code | |
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|
| | - ix0: Some general note about index_label
- ix2: Some general note about index2_label
|
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CAS Number | |
---|
PubChem CID | |
---|
PubChem SID | |
---|
IUPHAR/BPS | |
---|
DrugBank | |
---|
ChemSpider | |
---|
UNII | |
---|
KEGG | |
---|
ChEBI | |
---|
ChEMBL | |
---|
NIAID ChemDB | |
---|
PDB ligand | |
---|
|
3D model (JSmol) | |
---|
ix0: O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
ix2: O=C22[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
|
ix0: InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 YKey:TYZROVQLWOKYKF-ZDUSSCGKSA-N Y
ix2: InChI=1S/22C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2 Key:22ZROVQLWOKYKF-ZDUSSCGKSA-2
| |
ID's with index2_label|
ATC code | |
---|
|
| | - ix0: Some general note about index_label
- ix2: Some general note about index2_label
|
---|
CAS Number | |
---|
PubChem CID | |
---|
PubChem SID | |
---|
IUPHAR/BPS | |
---|
DrugBank | |
---|
ChemSpider | |
---|
UNII | |
---|
KEGG | |
---|
ChEBI | |
---|
ChEMBL | |
---|
NIAID ChemDB | |
---|
PDB ligand | |
---|
|
3D model (JSmol) | |
---|
ix0: O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
ix2: O=C22[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
|
ix0: InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 YKey:TYZROVQLWOKYKF-ZDUSSCGKSA-N Y
ix2: InChI=1S/22C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2 Key:22ZROVQLWOKYKF-ZDUSSCGKSA-2
| |
විරේචනය
Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
---|
ID's with index2_label|
ATC code | |
---|
|
| CAS Number | |
---|
PubChem CID | |
---|
PubChem SID | |
---|
IUPHAR/BPS | |
---|
DrugBank | |
---|
ChemSpider | |
---|
UNII | |
---|
KEGG | |
---|
ChEBI | |
---|
ChEMBL | |
---|
NIAID ChemDB | |
---|
PDB ligand | |
---|
|
3D model (JSmol) | |
---|
O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
O=C22[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
|
InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 YKey:TYZROVQLWOKYKF-ZDUSSCGKSA-N Y
InChI=1S/22C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2 Key:22ZROVQLWOKYKF-ZDUSSCGKSA-2
| |
ID's with index2_label|
ATC code | |
---|
|
| CAS Number | |
---|
PubChem CID | |
---|
PubChem SID | |
---|
IUPHAR/BPS | |
---|
DrugBank | |
---|
ChemSpider | |
---|
UNII | |
---|
KEGG | |
---|
ChEBI | |
---|
ChEMBL | |
---|
NIAID ChemDB | |
---|
PDB ligand | |
---|
|
3D model (JSmol) | |
---|
O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
O=C22[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
|
InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 YKey:TYZROVQLWOKYKF-ZDUSSCGKSA-N Y
InChI=1S/22C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2 Key:22ZROVQLWOKYKF-ZDUSSCGKSA-2
| |
විරේචනය
|index_label=
|index1_label=(R)
|index2_label=(S)
|CASNo1_Comment = (R)
|PubChem1_Comment = (R)
|CASNo2_Comment = (S)
|PubChem2_Comment = (S)
- (Q410932), (Q27105233), (Q27105200)
- index1 (R): skipped/unused
- SID and CID
|data_page=
or exists, demo page = ???
|CAS_number=none
|PubChem=none
|ChemSpiderID=none
does cat, and show.
link title
1. By default, the Jmol external link is fed with the |SMILES=
input. So |Jmol=
does not need input.
2. When |Jmol=none
, the Jmol data row is suppressed (not shown).
3. When |Jmol=<some SMILES string>
, Jmol links will show that string in 3D, no matter what |SMILES=
is. (SMILES output itself is unchanged).
Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
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1.Jmol by smiles (default)|
3D model (JSmol) | |
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O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
| |
1.Jmol by smiles (default)|
3D model (JSmol) | |
---|
O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
| |
Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
---|
2.Jmol=none|
O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
| |
2.Jmol=none|
O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
| |
Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
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3.Jmol=DDT (overwrites SMILES)|
3D model (JSmol) | |
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O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
| |
3.Jmol=DDT (overwrites SMILES)|
3D model (JSmol) | |
---|
O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
| |
Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
---|
Jmol=None|
O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
| |
Jmol=None|
O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
| |
Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
---|
SMILES2 input|
3D model (JSmol) | |
---|
O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
| |
SMILES2 input|
3D model (JSmol) | |
---|
O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
| |